data_3egf_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 3egf _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.4 m120 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -128.49 144.23 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.019 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -142.83 139.97 17.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -174.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.79 124.6 11.65 Favored 'Trans proline' 0 CA--C 1.521 -0.164 0 C-N-CA 120.97 1.113 . . . . 0.0 112.269 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.65 149.74 10.31 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.4 t -173.62 89.12 0.37 Allowed Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.77 -175.93 1.07 Allowed 'Trans proline' 0 CA--C 1.519 -0.249 0 C-N-CA 120.95 1.1 . . . . 0.0 112.328 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -88.37 5.34 42.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.6 m -55.26 -39.64 70.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -103.84 -146.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.051 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 169.98 94.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.31 47.43 4.93 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.566 1.167 . . . . 0.0 110.997 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -64.35 -23.7 67.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.616 0.833 . . . . 0.0 111.057 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.46 134.23 48.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.395 1.059 . . . . 0.0 108.279 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -122.42 165.57 16.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 6.6 m120 77.74 -57.43 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 176.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.33 78.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.45 -176.22 14.67 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.5 t -125.46 150.06 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 0.725 . . . . 0.0 109.294 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.431 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 28.2 t -94.25 138.84 31.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 -175.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -151.69 144.29 24.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.992 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 28' ' ' SER . 11.7 t-80 -88.87 159.48 17.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.575 -170.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -122.61 154.44 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 173.688 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -119.08 9.59 11.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.4 t -79.43 -38.16 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.015 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.3 15.37 4.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t70 57.9 26.46 13.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.381 -174.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.55 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.4 t -90.99 166.07 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.182 . . . . 0.0 110.004 -177.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.452 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 70.8 m-85 -116.47 141.38 48.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 173.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.3 t -134.76 -175.03 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -175.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 1.5 m -153.1 134.64 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 108.334 -173.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -102.46 162.57 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.56 -152.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.268 -174.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 37' ' ' TYR . 10.2 m -134.13 171.65 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -171.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 mt -51.11 125.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.613 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 97.25 3.75 58.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 -173.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.613 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 92.2 m-85 -165.94 134.74 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 111.001 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 p -170.07 -160.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 169.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.39 -143.38 16.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.08 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -74.32 -15.95 60.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.414 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -153.75 -84.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.079 . . . . 0.0 110.278 175.401 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.8 m -155.56 27.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 108.317 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -77.39 -43.6 32.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 -173.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.5 m -71.92 80.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 10.2 ptm180 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.6 m120 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -157.01 160.06 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -139.75 141.39 27.65 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -175.491 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.84 110.9 2.47 Favored 'Trans proline' 0 CA--C 1.519 -0.232 0 C-N-CA 121.0 1.133 . . . . 0.0 112.262 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.3 146.63 12.2 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -174.49 87.68 0.33 Allowed Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 61.3 Cg_endo -68.75 -178.64 2.04 Favored 'Trans proline' 0 CA--C 1.52 -0.222 0 C-N-CA 121.015 1.143 . . . . 0.0 112.342 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.4 p -71.11 -16.7 62.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.948 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.1 m -47.75 -48.06 30.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.004 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -98.26 -48.36 5.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t0 50.46 74.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.87 43.45 1.41 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -54.54 -33.57 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.992 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.3 145.03 35.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 108.311 177.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.56 167.08 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 56.88 45.01 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 173.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.74 -12.72 68.91 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 169.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.38 151.48 17.92 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.4 t -111.85 142.32 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -93.62 137.57 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 108.289 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 33.1 mtp -134.01 168.91 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 28' ' ' SER . 6.6 t-160 -124.62 157.38 35.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.615 -176.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.87 152.31 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 173.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -116.07 9.08 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.5 p -77.39 -33.8 55.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.63 15.71 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t70 55.57 30.32 15.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.556 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.4 t -91.81 166.24 12.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.932 -175.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 67.3 m-85 -117.53 127.18 53.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.587 1.179 . . . . 0.0 111.015 175.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.1 t -113.0 -169.09 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 -174.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.0 139.96 15.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 108.33 -175.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -111.89 127.32 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 168.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 1.4 t -94.93 -159.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.328 -167.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.96 -171.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -169.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.8 mt -67.85 136.85 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -176.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.18 31.18 26.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.518 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 4.2 m-85 -146.88 124.79 11.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 0.718 . . . . 0.0 111.007 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 t -161.45 -169.98 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 108.53 36.41 2.26 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 4.3 t0 76.8 -63.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 109.359 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.532 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 55.8 mtm180 -85.38 -69.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 158.65 50.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 108.348 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.4 -51.07 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.233 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.0 m -68.38 100.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.475 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 1.5 ttp85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.247 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.0 m120 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -54.14 131.39 41.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -124.11 137.11 28.43 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.74 104.72 1.19 Allowed 'Trans proline' 0 CA--C 1.519 -0.265 0 C-N-CA 120.955 1.103 . . . . 0.0 112.365 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.28 148.85 16.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.421 1.075 . . . . 0.0 110.982 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -175.92 101.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -178.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.79 -179.86 2.74 Favored 'Trans proline' 0 CA--C 1.52 -0.182 0 C-N-CA 120.953 1.102 . . . . 0.0 112.307 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.2 p -78.0 -11.5 59.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.022 -177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.4 t -55.25 -51.64 65.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.004 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -91.53 -9.76 43.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 42.39 60.73 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.27 -40.73 2.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 59.29 14.49 3.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.968 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -129.44 146.42 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 108.322 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 1.8 pp -134.24 178.92 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 15.8 m-20 66.4 -71.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 175.73 75.57 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.63 167.14 25.14 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.5 t -112.41 153.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.0 t -90.99 142.62 27.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 108.322 -175.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.6 mtp -148.12 130.04 15.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 28' ' ' SER . 5.7 t-160 -81.98 153.01 26.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' ' CG ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -108.23 -26.78 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.389 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 25' ' ' SER . 8.0 pt-20 46.59 -176.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 -178.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.2 p 82.0 -38.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 mt -130.52 13.62 5.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 175.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t0 58.17 37.09 26.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 35.4 t -100.3 146.35 27.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.411 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 70.1 m-85 -118.83 149.77 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 t -141.74 -173.12 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.1 m -147.46 138.23 23.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.337 -177.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -109.73 111.98 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 170.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.5 t -99.7 -79.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.295 -168.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.11 -165.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -175.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mt -71.27 121.32 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -176.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.0 11.19 50.43 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.461 ' CE1' ' CB ' ' A' ' 45' ' ' ARG . 2.0 m-85 -113.77 113.25 24.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.982 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -169.61 -159.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.069 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 108.82 60.17 0.53 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 111.055 177.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 19.2 t0 80.66 -53.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 0.796 . . . . 0.0 109.221 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 42' ' ' CYS . 16.6 mtt85 -119.02 -72.82 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 41' ' ' ARG . 43.9 t 175.09 37.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 108.325 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -83.36 -34.01 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -84.46 86.27 7.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 2.5 ptp85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 175.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.4 m120 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -131.65 141.39 49.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -136.88 135.45 20.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.89 102.45 0.89 Allowed 'Trans proline' 0 CA--C 1.519 -0.227 0 C-N-CA 120.977 1.118 . . . . 0.0 112.291 173.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.46 151.18 22.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.41 89.56 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.76 -174.58 0.75 Allowed 'Trans proline' 0 CA--C 1.52 -0.215 0 C-N-CA 121.04 1.16 . . . . 0.0 112.293 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -56.19 -26.39 50.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.3 t -61.78 -39.58 92.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -108.39 45.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 111.058 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -93.46 39.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.94 39.67 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -96.25 -15.88 21.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 111.026 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -103.55 130.31 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 0.0 108.323 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.37 -136.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -87.59 49.93 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 -171.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.74 85.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.409 1.068 . . . . 0.0 110.994 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.53 155.98 17.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.21 142.26 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.36 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.4 t -88.65 136.32 33.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.323 -174.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.7 ptm -149.82 171.65 16.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 111.025 173.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 28' ' ' SER . 7.5 t-80 -118.09 147.88 42.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.604 -172.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -115.41 128.99 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 169.41 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -93.18 -10.21 36.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.297 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.0 p -69.26 -39.7 78.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 mt -119.92 7.23 10.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.5 t70 52.42 32.65 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.602 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -95.08 165.23 12.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -175.611 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -122.15 118.48 28.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -121.03 -174.4 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 -173.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.23 117.91 7.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 108.312 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -63.43 115.72 4.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -89.81 -167.45 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.335 -173.425 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.4 m -138.39 -170.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 -169.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.6 mt -61.77 138.67 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 -172.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.57 28.75 10.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.433 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.2 m-85 -144.43 123.26 12.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.979 -177.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -156.16 -169.78 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 107.12 32.02 3.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 16.9 t0 79.81 -61.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 81.5 mtm-85 -88.04 -69.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.232 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 156.43 43.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.286 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.7 pm0 -94.13 -24.12 17.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.268 -173.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -92.7 96.99 10.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 176.34 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -56.08 140.0 45.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.429 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 64.6 t80 -141.31 138.49 17.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 111.018 -176.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.83 103.74 1.06 Allowed 'Trans proline' 0 CA--C 1.521 -0.151 0 C-N-CA 121.011 1.141 . . . . 0.0 112.211 175.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.09 152.63 24.25 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.67 93.04 0.27 Allowed Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.472 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 61.5 Cg_endo -68.77 -179.11 2.27 Favored 'Trans proline' 0 CA--C 1.519 -0.27 0 C-N-CA 121.035 1.157 . . . . 0.0 112.339 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 t -76.89 -11.45 59.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.998 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -50.54 -47.08 57.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.037 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -94.57 -50.79 5.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.9 t0 49.4 75.67 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 109.387 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.38 43.01 1.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.71 -45.15 70.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 111.029 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.66 163.96 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.268 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -145.38 155.37 43.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -177.407 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.7 p30 33.32 71.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 173.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.1 -47.77 1.0 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 164.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.82 150.28 42.95 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -174.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 t -122.7 144.07 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 t -83.55 141.64 31.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.371 -172.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.1 mtp -144.6 169.06 18.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' A' ' 28' ' ' SER . 1.9 t-160 -117.67 148.72 41.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.578 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -102.7 -41.35 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 178.618 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 23' ' ' ILE . 13.3 tt0 83.89 -48.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 171.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.0 t -61.22 -32.19 71.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.038 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.09 1.22 20.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t70 56.4 28.46 13.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -176.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.555 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -105.89 158.5 16.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 -177.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.472 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 86.7 m-85 -114.65 111.0 20.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 176.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -95.48 -171.56 2.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -171.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.9 m -151.23 122.29 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 108.314 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -91.39 124.94 35.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -93.46 -172.68 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 108.301 -169.23 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 p -139.59 -171.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -168.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mt -62.73 137.94 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.05 30.72 47.02 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 45' ' ' ARG . 6.7 m-85 -150.49 125.19 9.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 110.949 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 m -155.93 177.34 11.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 112.96 36.94 1.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 4.9 t70 76.19 -65.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 109.321 -177.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.618 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 2.4 mpp_? -83.02 -69.43 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -178.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.618 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 1.4 m 150.37 48.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 108.294 177.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 44' ' ' THR . 16.4 pm0 -98.75 -26.55 14.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 -174.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.417 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 27.7 m -86.84 98.07 11.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.462 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 1.4 ttm180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.3 m120 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -82.78 112.14 19.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -112.75 136.23 21.6 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.73 109.22 2.05 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 C-N-CA 121.031 1.154 . . . . 0.0 112.354 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.91 131.97 3.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.1 m -150.72 77.08 7.98 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.79 -176.3 1.18 Allowed 'Trans proline' 0 CA--C 1.52 -0.186 0 C-N-CA 120.967 1.111 . . . . 0.0 112.287 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.2 p -82.59 0.11 44.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.061 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.6 m -50.95 -55.7 15.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.074 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.455 ' CD2' ' N ' ' A' ' 11' ' ' ASP . 16.9 p90 -119.36 -44.42 2.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 111.03 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.455 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 33.6 t0 47.33 80.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.99 52.46 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.433 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 3.3 t80 -85.06 -1.87 57.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 111.02 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 m -115.65 119.74 37.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 7.7 mt -97.6 155.42 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 5.9 m-20 76.31 -55.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -176.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.21 -85.23 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.8 -164.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.6 t -142.94 141.63 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.3 t -79.42 136.97 37.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.278 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.21 130.87 8.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.169 . . . . 0.0 111.002 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 28' ' ' SER . 14.0 t-80 -92.92 158.63 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.593 -175.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -121.88 159.92 24.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 175.588 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 25' ' ' SER . 6.6 mm-40 -120.19 173.48 7.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 1.059 . . . . 0.0 110.29 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 87.81 -37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mt -122.07 2.61 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t70 51.16 33.63 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.578 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 5.0 t -88.45 161.61 16.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.483 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 71.0 m-85 -117.84 150.83 38.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.8 t -145.5 -176.07 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.1 m -152.87 124.82 7.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 108.308 -175.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -68.52 118.02 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 172.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -103.41 -168.45 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 108.277 -170.114 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.8 m -143.43 173.11 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -171.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.1 mt -53.81 133.28 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 0.0 109.353 -174.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.83 20.26 79.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.492 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 74.8 m-85 -158.5 131.24 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 110.968 178.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -155.04 179.79 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.971 175.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.76 -169.97 14.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -76.01 -12.59 60.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.254 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.513 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 58.1 mtt85 -129.58 -68.47 0.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 176.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.2 m 160.51 46.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 108.324 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.24 -44.52 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -171.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -65.31 101.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.409 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 176.611 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 22.6 m120 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -85.09 131.99 34.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -129.71 137.59 31.25 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.75 111.68 2.67 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 120.996 1.13 . . . . 0.0 112.333 175.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.57 153.75 24.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.72 96.12 0.19 Allowed Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.82 -172.44 0.48 Allowed 'Trans proline' 0 CA--C 1.519 -0.26 0 C-N-CA 120.973 1.116 . . . . 0.0 112.282 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 p -66.7 -22.89 66.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 t -73.78 -9.93 59.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -128.83 84.18 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -79.19 66.31 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.373 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.32 -34.68 5.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.8 t80 42.55 35.02 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 0.752 . . . . 0.0 111.009 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.14 131.55 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.68 151.59 39.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 53.93 55.78 7.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.216 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.62 105.71 0.2 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 173.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.51 157.3 14.83 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.24 152.59 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 177.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.8 t -85.33 144.76 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.287 -172.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 37.1 mtp -149.7 119.6 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 172.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 28' ' ' SER . 17.8 t-80 -81.82 162.41 22.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -172.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -124.63 151.83 30.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 174.519 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -118.92 9.97 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.8 m -79.82 -37.81 34.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.19 15.46 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 59.03 25.41 13.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -174.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.562 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.2 t -89.85 168.31 12.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.419 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 78.7 m-85 -116.63 144.78 43.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 111.049 175.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -134.4 -174.53 3.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.69 150.96 25.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -173.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 32' ' ' ASN . 5.9 p-10 -124.44 125.83 44.91 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 170.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.539 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 72.4 m -112.8 -111.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.378 1.049 . . . . 0.0 108.333 -164.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.7 -165.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -169.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.1 pt -67.43 123.28 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.73 9.39 45.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.534 ' CZ ' ' HG2' ' A' ' 45' ' ' ARG . 4.3 m-85 -116.74 126.89 53.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 111.042 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -170.44 -159.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.0 -174.15 16.16 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -55.35 -35.58 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.277 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.539 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 87.8 mtm-85 -120.81 -81.49 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 172.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.9 m -154.19 26.12 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 173.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.0 tt0 -63.01 -43.24 99.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -170.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 m -60.89 81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 110.429 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.534 ' HG2' ' CZ ' ' A' ' 37' ' ' TYR . 1.4 ttp-105 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -175.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -84.55 111.83 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 110.054 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -119.93 138.49 26.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.87 116.55 4.52 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 120.985 1.124 . . . . 0.0 112.272 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.45 150.76 13.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 p 179.66 96.97 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.78 179.8 2.95 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 121.088 1.192 . . . . 0.0 112.258 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.9 p -76.66 -11.68 59.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -50.05 -42.84 50.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.96 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -94.3 -57.23 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.98 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 46.36 77.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.66 47.16 0.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -93.37 11.64 27.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.937 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -131.38 129.1 40.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 108.243 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt -123.56 175.73 6.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 50.04 46.34 24.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.12 53.02 49.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.12 158.79 14.66 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -106.19 159.79 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.36 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 143.22 29.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 -175.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.5 126.58 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 175.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 28' ' ' SER . 21.4 t-80 -94.48 155.57 16.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.55 -176.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.96 150.11 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 175.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -124.9 23.3 7.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -176.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.4 t -98.2 -37.67 9.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -121.22 9.41 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.76 25.3 14.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -174.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -92.76 167.95 11.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.058 -178.341 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.433 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 75.5 m-85 -115.19 151.12 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 175.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.1 t -145.72 -173.32 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.459 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.6 m -156.55 131.13 8.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 -175.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -70.66 145.16 50.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 176.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.1 m -129.32 -166.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.359 -173.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.7 m -132.34 -177.98 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -172.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mt -59.25 136.61 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.457 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 59.39 37.7 92.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -176.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.457 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 29.2 m-85 -164.43 113.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 0.795 . . . . 0.0 110.966 175.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.8 p -165.32 -174.84 3.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.989 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.36 34.91 4.6 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 66.54 125.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 0.74 . . . . 0.0 109.334 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 69.44 5.33 5.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 m 60.49 89.44 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.409 1.068 . . . . 0.0 108.286 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -125.43 -58.85 1.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.282 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -57.82 97.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.442 178.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -91.84 138.24 31.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.935 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.401 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 58.4 t80 -139.43 130.41 14.69 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -177.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.78 100.58 0.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 121.031 1.154 . . . . 0.0 112.268 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.85 149.82 11.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.616 1.197 . . . . 0.0 111.036 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 p 173.11 116.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.77 -177.38 1.53 Allowed 'Trans proline' 0 CA--C 1.52 -0.187 0 C-N-CA 120.964 1.109 . . . . 0.0 112.269 -176.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m -62.52 -21.8 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.935 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -56.08 -33.02 64.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 109.978 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -111.47 46.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -90.62 43.03 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.4 40.57 0.05 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.499 1.125 . . . . 0.0 110.953 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -107.66 7.48 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 0.796 . . . . 0.0 111.056 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.84 111.74 10.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 108.278 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -100.94 169.04 9.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -176.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 47.43 61.33 2.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.2 175.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.8 58.34 12.85 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.522 1.139 . . . . 0.0 110.949 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.31 157.7 15.79 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.63 153.6 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.3 t -93.33 147.65 22.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.267 -173.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.7 tpt -159.56 144.77 15.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 175.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 28' ' ' SER . 6.5 t-80 -100.56 154.98 18.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.59 -173.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.52 140.98 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 169.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -107.34 4.1 26.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 -175.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m -76.0 -37.07 58.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.891 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.22 14.14 4.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t70 56.67 27.79 13.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.301 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.596 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 7.2 t -84.99 166.09 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.017 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.41 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 53.6 m-85 -120.91 118.7 30.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 176.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t -113.46 -172.95 2.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 110.45 -174.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.3 m -158.4 126.91 5.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 108.338 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -96.61 104.69 16.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 173.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 53.5 t -76.94 -102.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.05 . . . . 0.0 108.292 -166.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 35' ' ' ILE . 1.5 p -159.86 -167.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -168.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.421 ' N ' HG12 ' A' ' 34' ' ' VAL . 3.7 mt -56.02 138.55 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -175.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.04 46.29 5.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.14 . . . . 0.0 110.949 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.485 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 5.8 m-85 -162.64 128.65 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.969 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 p -171.85 -161.57 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.609 1.193 . . . . 0.0 109.995 175.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.66 -145.41 18.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.51 -24.74 39.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 0.0 109.214 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -132.66 -81.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.2 35.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.296 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -104.43 -7.86 19.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -171.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.1 m -112.77 108.88 18.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.449 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 174.297 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.1 m120 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -151.02 124.12 8.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.971 177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -138.02 133.55 17.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.74 103.83 1.06 Allowed 'Trans proline' 0 CA--C 1.519 -0.226 0 C-N-CA 121.016 1.144 . . . . 0.0 112.304 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.03 152.5 22.9 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.163 . . . . 0.0 110.97 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.1 m 177.97 97.78 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.76 -178.54 2.01 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 121.065 1.177 . . . . 0.0 112.211 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 t -81.86 -5.28 58.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -49.11 -43.72 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.957 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -92.19 -51.28 5.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.7 t0 53.2 79.97 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.18 41.94 2.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -74.73 -17.67 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 110.94 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 14.1 m -119.77 118.64 31.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 108.363 -178.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.24 177.26 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 51.05 63.5 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.55 30.5 59.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.38 141.81 15.83 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.4 t -102.94 148.5 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 0.746 . . . . 0.0 109.237 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.411 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -97.41 136.93 37.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.331 -174.726 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mmt -142.16 166.68 24.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.483 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 4.3 t-160 -119.94 152.32 37.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.6 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 mm -108.86 -31.64 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 25' ' ' SER . 4.1 tt0 64.62 162.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.3 p 83.71 -33.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -123.45 8.22 9.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 175.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.9 t0 50.04 32.35 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 -171.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.3 115.19 26.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 -173.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.483 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 97.7 m-85 -94.15 118.64 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 177.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -98.75 179.2 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.437 -174.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.3 m -142.76 104.11 4.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.265 -175.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -67.7 143.26 56.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 170.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.537 ' SG ' ' C ' ' A' ' 37' ' ' TYR . 1.8 t -118.77 -158.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 108.326 -169.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' TYR . 2.0 p -153.68 -177.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -172.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.3 mt -68.6 129.06 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 83.99 17.15 65.87 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -178.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.537 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 98.9 m-85 -161.88 136.27 6.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 0.0 110.989 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.7 t -157.52 176.77 12.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 0.0 109.993 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.62 -166.25 15.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 0.0 111.057 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -95.18 -1.66 51.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -144.25 20.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.7 t 48.07 74.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 108.336 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.2 -49.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 -170.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -61.16 99.94 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 110.451 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.501 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 p -80.11 141.84 35.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.05 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 62.8 t80 -138.6 134.18 17.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 111.024 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.79 101.38 0.77 Allowed 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 120.962 1.108 . . . . 0.0 112.311 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.94 148.1 8.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 111.075 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.7 p 177.87 122.56 0.19 Allowed Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.77 -178.06 1.81 Allowed 'Trans proline' 0 CA--C 1.52 -0.217 0 C-N-CA 121.016 1.144 . . . . 0.0 112.316 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -85.82 0.38 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.048 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.5 t -61.83 -38.08 86.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.07 . . . . 0.0 110.031 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -92.53 1.33 57.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 55.79 42.03 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 109.283 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.16 -33.36 4.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 64.8 12.34 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 111.013 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.2 114.98 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 108.346 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 1.1 mm? -111.85 167.13 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 12.8 m-20 78.36 -58.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.247 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.63 48.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.15 167.48 21.59 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.0 t -108.95 151.15 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 0.735 . . . . 0.0 109.328 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 t -92.18 147.29 23.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 108.302 -171.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.7 tpt -158.25 142.82 16.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 28' ' ' SER . 6.0 t-160 -97.26 157.31 16.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.556 1.16 . . . . 0.0 109.59 -173.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.81 154.63 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 172.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 25' ' ' SER . 49.5 mt-10 -117.09 174.15 6.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.2 t 88.07 -33.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -178.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mt -126.83 7.72 6.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.285 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 44.27 47.14 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.606 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 17.8 t -96.78 163.53 12.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -178.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.486 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 55.1 m-85 -125.06 137.54 54.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 177.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -136.91 -176.21 4.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 -173.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.1 m -156.84 137.17 12.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 -175.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -93.03 134.64 34.96 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.4 m -107.69 -167.32 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 108.344 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.07 -167.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -166.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -46.75 136.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.63 39.38 2.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.915 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.481 ' CE1' ' HG2' ' A' ' 45' ' ' ARG . 9.4 m-85 -149.64 123.05 9.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 111.031 175.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p -162.39 163.86 27.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 139.08 46.69 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' GLY . 5.2 p-10 36.94 46.14 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 0.818 . . . . 0.0 109.27 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 27.1 ttt180 163.06 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -175.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 3.5 m 84.15 61.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.306 175.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -105.19 -39.8 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.5 m -85.77 119.0 25.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 -171.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.481 ' HG2' ' CE1' ' A' ' 37' ' ' TYR . 47.7 mtt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 172.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 m -72.36 101.03 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -102.69 134.02 20.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.927 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.84 113.29 3.17 Favored 'Trans proline' 0 CA--C 1.52 -0.208 0 C-N-CA 121.019 1.146 . . . . 0.0 112.267 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.425 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -171.92 154.43 21.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.2 m 179.07 101.98 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.8 -172.26 0.46 Allowed 'Trans proline' 0 CA--C 1.519 -0.234 0 C-N-CA 121.034 1.156 . . . . 0.0 112.285 -176.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.1 m -67.04 -23.38 65.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.977 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -76.06 -5.89 48.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.413 ' CE2' ' CG ' ' A' ' 29' ' ' TYR . 20.5 m-85 -128.5 79.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -78.7 64.6 3.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.365 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.441 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 107.73 -43.84 1.61 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.417 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 16.7 t80 49.14 20.96 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 0.777 . . . . 0.0 111.005 -177.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 58.0 m -132.96 133.37 43.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 108.226 -176.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.603 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -129.83 164.82 23.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 175.189 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 10.0 m120 81.06 -50.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.28 87.41 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.529 1.143 . . . . 0.0 111.058 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.16 164.86 33.55 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.3 t -107.96 148.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.724 . . . . 0.0 109.375 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.84 135.38 41.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 108.28 -176.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.9 tpt -154.04 128.47 9.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.951 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 28' ' ' SER . 15.1 t-80 -92.0 160.17 15.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 109.636 -173.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.14 159.68 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 173.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 25' ' ' SER . 36.5 mt-10 -123.68 173.71 7.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.316 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 87.83 -35.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.982 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -123.26 5.49 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 175.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 46.24 45.88 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.593 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 5.0 t -103.74 165.47 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.413 ' CG ' ' CE2' ' A' ' 10' ' ' TYR . 74.0 m-85 -120.56 151.38 39.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 t -147.18 -171.29 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 110.375 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 9.9 m -147.87 133.24 18.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.299 -174.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -74.81 116.49 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 171.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.2 m -111.05 -166.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 108.336 -169.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' ILE . 17.0 m -141.74 -169.48 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 -168.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.439 ' C ' ' H ' ' A' ' 37' ' ' TYR . 13.3 mt -39.43 118.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -177.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.88 -37.05 1.46 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 171.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.439 ' H ' ' C ' ' A' ' 35' ' ' ILE . 35.6 m-85 -75.8 127.51 33.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 110.947 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.4 p -161.98 -168.82 2.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.978 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.26 -174.26 54.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -65.72 115.0 5.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 75.71 14.15 2.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.6 m 68.15 20.79 8.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 108.273 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -54.71 -40.94 69.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.3 m -66.22 89.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 -176.235 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -131.23 163.7 27.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.074 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -142.68 132.23 12.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 -174.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.8 100.51 0.71 Allowed 'Trans proline' 0 CA--C 1.521 -0.17 0 C-N-CA 121.041 1.161 . . . . 0.0 112.231 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.61 149.56 19.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.09 110.71 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -177.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 8' ' ' SER . 61.1 Cg_endo -68.87 -34.33 18.16 Favored 'Trans proline' 0 CA--C 1.52 -0.188 0 C-N-CA 120.937 1.091 . . . . 0.0 112.323 177.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 1.1 p 80.34 6.49 1.61 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 1.182 . . . . 0.0 110.062 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 t -87.53 0.43 55.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.408 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 33.7 m-85 -78.77 -89.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 1.3 m-20 163.72 88.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.03 50.76 7.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -49.38 -24.62 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 111.001 179.491 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -125.9 124.44 40.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 108.309 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.3 OUTLIER -129.85 152.69 49.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -174.323 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 9.7 m-20 81.79 -54.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 173.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.92 83.12 0.05 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.574 1.171 . . . . 0.0 111.02 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -157.75 149.89 20.57 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 177.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.05 155.05 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.35 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -90.27 129.27 36.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 108.257 -175.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.0 mmt -137.57 134.74 35.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.908 174.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.542 ' CD2' ' O ' ' A' ' 28' ' ' SER . 8.0 t-160 -92.91 158.05 16.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 -170.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.91 155.81 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 174.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -124.9 15.78 8.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 t -79.85 -30.98 40.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.11 19.53 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 t70 57.63 27.99 15.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -173.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.542 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 5.1 t -89.18 168.91 11.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -175.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -120.02 152.14 37.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.6 t -143.34 -172.65 3.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.6 m -148.51 132.75 17.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 108.278 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -82.46 123.67 29.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 170.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -89.33 -163.53 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.322 -170.56 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 p -147.26 -171.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -168.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.7 mm -59.3 141.47 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -173.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.67 32.92 8.49 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.427 1.079 . . . . 0.0 110.992 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.438 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 5.3 m-85 -153.37 129.08 10.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 111.032 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.5 m -147.07 174.41 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.57 172.56 14.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.51 -16.4 60.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -126.51 -69.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 174.833 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.1 m 164.94 38.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 108.307 177.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -87.86 -26.71 22.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -172.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.0 m -76.71 78.44 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 177.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.0 p30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m -77.5 104.05 7.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -108.57 134.29 20.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.944 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.73 112.14 2.8 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 121.035 1.157 . . . . 0.0 112.317 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.85 149.56 18.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.65 96.7 0.24 Allowed Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.72 -179.33 2.39 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 C-N-CA 121.014 1.143 . . . . 0.0 112.303 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 t -69.7 -19.51 63.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 0.0 109.977 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -76.28 -14.09 60.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -114.57 50.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -177.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -94.46 47.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.74 45.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 30.1 t80 -110.4 17.33 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 111.039 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -140.01 116.65 10.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 108.287 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -94.75 172.96 7.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 54.24 35.79 23.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.23 34.53 74.23 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.76 158.67 48.85 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.4 t -95.27 149.65 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 t -90.92 140.08 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 -175.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.5 ttt -154.96 130.4 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.075 . . . . 0.0 111.006 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 28' ' ' SER . 13.1 t-80 -89.43 159.44 17.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.56 -171.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.02 151.12 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 173.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -122.09 12.15 10.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.2 t -81.78 -32.03 31.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.2 19.57 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 52.62 39.39 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -174.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.569 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.1 t -107.14 170.68 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 -176.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.411 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 54.2 m-85 -118.27 149.27 41.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 175.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.1 t -139.34 -176.36 4.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.451 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 27.4 m -154.84 129.08 8.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.32 -173.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -76.46 115.19 15.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 172.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.9 m -106.41 -141.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 108.276 -169.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.26 -175.51 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.39 144.86 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -175.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.69 34.8 15.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -176.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.617 ' CZ ' ' HG3' ' A' ' 45' ' ' ARG . 1.1 m-85 -154.13 114.1 3.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 110.953 -178.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.0 p -163.64 -157.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.63 -89.77 0.79 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.434 1.084 . . . . 0.0 111.002 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -168.37 125.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.371 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 ttm105 69.45 17.39 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -173.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 m 60.95 78.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.313 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 43' ' ' GLN . 6.1 tp60 -119.45 -52.77 2.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -170.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.0 m -64.88 83.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 176.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.617 ' HG3' ' CZ ' ' A' ' 37' ' ' TYR . 34.7 ttp-105 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 p -93.15 98.88 11.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -104.18 132.63 20.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.79 115.46 3.96 Favored 'Trans proline' 0 CA--C 1.519 -0.225 0 C-N-CA 121.0 1.133 . . . . 0.0 112.313 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 6' ' ' CYS . . . 179.23 156.0 16.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 5' ' ' GLY . 2.1 p 166.14 85.63 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 9' ' ' SER . 61.2 Cg_endo -68.77 158.52 57.49 Favored 'Trans proline' 0 CA--C 1.52 -0.204 0 C-N-CA 120.998 1.132 . . . . 0.0 112.374 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t 57.43 8.2 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.985 -172.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 7' ' ' PRO . 8.7 t 51.14 22.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 -175.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 9' ' ' SER . 2.8 m-85 33.04 47.07 0.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -174.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t0 53.52 69.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.345 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 49.48 42.24 34.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 175.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -48.42 -32.33 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 111.003 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 4.2 m -123.31 145.89 48.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.39 176.02 12.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -177.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 51.12 64.53 1.8 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.99 19.12 69.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.89 112.02 4.25 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.0 t -84.9 143.2 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.243 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 23.8 t -88.66 130.29 35.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 108.255 -174.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 87.1 mmm -143.68 123.11 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 28' ' ' SER . 21.7 t-80 -88.42 146.74 25.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.67 -174.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.57 145.79 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.629 1.206 . . . . 0.0 109.277 174.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -119.37 14.75 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.316 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.4 m -92.07 -33.25 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.969 176.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -122.39 9.28 9.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 56.32 26.56 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.629 1.206 . . . . 0.0 109.324 -167.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.636 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 8.6 p -90.1 167.39 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.02 -173.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.412 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 31.9 m-85 -120.69 145.28 47.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 175.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.77 173.79 11.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -174.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.8 m -143.65 110.26 5.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 108.359 -173.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -73.49 101.98 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.6 m -87.21 -166.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 108.379 -172.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 p -142.32 -168.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 109.389 -169.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.7 mm -55.63 137.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -174.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.74 32.77 8.57 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -147.89 123.06 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.6 p -160.77 -159.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.33 37.45 4.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 45.2 47.58 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 29.0 ttm105 173.14 -31.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 110.259 -176.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 3.2 m 84.46 18.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 175.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -85.45 -23.1 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.267 176.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 m -86.95 108.03 18.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 176.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 p30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -73.31 106.15 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.016 177.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -112.48 136.93 21.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 111.024 -176.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.74 120.11 7.06 Favored 'Trans proline' 0 CA--C 1.52 -0.206 0 C-N-CA 120.974 1.116 . . . . 0.0 112.314 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.61 154.64 15.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.84 96.35 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.78 179.86 2.91 Favored 'Trans proline' 0 CA--C 1.52 -0.181 0 C-N-CA 120.977 1.118 . . . . 0.0 112.341 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.7 m -78.69 -9.92 59.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.049 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.2 t -50.26 -44.51 53.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.928 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -88.62 -55.76 3.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 46.29 70.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.55 45.81 0.31 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -84.23 -2.21 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 111.021 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.3 m -126.12 146.49 49.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 108.344 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.92 174.01 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 48.1 39.92 12.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.217 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.26 86.56 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 175.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.02 149.24 17.41 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.5 160.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.29 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.78 139.6 31.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.327 -173.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.7 ttt -154.39 137.7 15.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 176.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' 28' ' ' SER . 11.7 t-80 -93.58 160.13 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 -174.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.54 162.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 174.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 25' ' ' SER . 9.1 mm-40 -124.41 173.87 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 88.43 -34.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mt -125.93 6.87 7.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 175.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 45.63 44.02 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -177.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.567 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.7 t -101.63 163.43 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.416 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 75.2 m-85 -118.49 154.8 31.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.2 t -147.81 -174.24 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.7 m -148.22 132.98 17.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.296 -175.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -83.66 120.69 26.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 174.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.18 -165.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.338 -173.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.485 ' O ' ' O ' ' A' ' 37' ' ' TYR . 4.2 m -134.76 171.26 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 -173.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.46 129.28 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 174.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . 96.87 -34.73 4.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.545 1.153 . . . . 0.0 111.099 -179.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.486 ' HA ' ' O ' ' A' ' 44' ' ' THR . 90.6 m-85 -119.32 141.88 48.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 0.79 . . . . 0.0 111.007 -175.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 p -164.81 173.79 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.96 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.61 165.96 11.88 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -50.44 -31.72 15.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.519 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 44.6 mtm-85 -113.11 -58.91 2.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.346 173.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 163.65 38.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 108.311 176.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -59.54 -60.55 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -170.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.1 m -46.69 144.51 2.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.16 . . . . 0.0 110.415 178.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.493 ' C ' ' O ' ' A' ' 36' ' ' GLY . 73.9 mtt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.4 m120 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -128.49 144.23 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.019 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -142.83 139.97 17.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -174.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.79 124.6 11.65 Favored 'Trans proline' 0 CA--C 1.521 -0.164 0 C-N-CA 120.97 1.113 . . . . 0.0 112.269 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.65 149.74 10.31 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.4 t -173.62 89.12 0.37 Allowed Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.77 -175.93 1.07 Allowed 'Trans proline' 0 CA--C 1.519 -0.249 0 C-N-CA 120.95 1.1 . . . . 0.0 112.328 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -88.37 5.34 42.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.6 m -55.26 -39.64 70.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -103.84 -146.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.051 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 169.98 94.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.31 47.43 4.93 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.566 1.167 . . . . 0.0 110.997 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -64.35 -23.7 67.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.616 0.833 . . . . 0.0 111.057 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.46 134.23 48.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.395 1.059 . . . . 0.0 108.279 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -122.42 165.57 16.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 6.6 m120 77.74 -57.43 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 176.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.33 78.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.45 -176.22 14.67 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.5 t -125.46 150.06 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 0.725 . . . . 0.0 109.294 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.431 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 28.2 t -94.25 138.84 31.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 -175.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -151.69 144.29 24.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.992 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 28' ' ' SER . 11.7 t-80 -88.87 159.48 17.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.575 -170.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -122.61 154.44 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 173.688 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -119.08 9.59 11.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.4 t -79.43 -38.16 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.015 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.3 15.37 4.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t70 57.9 26.46 13.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.381 -174.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.55 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.4 t -90.99 166.07 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.182 . . . . 0.0 110.004 -177.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.452 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 70.8 m-85 -116.47 141.38 48.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 173.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.3 t -134.76 -175.03 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -175.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 1.5 m -153.1 134.64 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 108.334 -173.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -102.46 162.57 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.56 -152.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.268 -174.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 37' ' ' TYR . 10.2 m -134.13 171.65 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -171.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 mt -51.11 125.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.613 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 97.25 3.75 58.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 -173.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.613 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 92.2 m-85 -165.94 134.74 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 111.001 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 p -170.07 -160.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 169.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.39 -143.38 16.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.08 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -74.32 -15.95 60.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.414 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -153.75 -84.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.079 . . . . 0.0 110.278 175.401 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.8 m -155.56 27.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 108.317 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -77.39 -43.6 32.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 -173.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.5 m -71.92 80.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 10.2 ptm180 -75.03 67.91 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -134.65 170.04 16.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.61 -90.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 50' ' ' TRP . 20.6 mmt85 53.61 90.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 172.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -52.96 102.56 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 108.062 175.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.468 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -126.42 27.44 6.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 107.986 -175.247 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -159.08 159.68 34.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.31 159.9 41.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.6 m120 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -157.01 160.06 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -139.75 141.39 27.65 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -175.491 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.84 110.9 2.47 Favored 'Trans proline' 0 CA--C 1.519 -0.232 0 C-N-CA 121.0 1.133 . . . . 0.0 112.262 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.3 146.63 12.2 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -174.49 87.68 0.33 Allowed Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 61.3 Cg_endo -68.75 -178.64 2.04 Favored 'Trans proline' 0 CA--C 1.52 -0.222 0 C-N-CA 121.015 1.143 . . . . 0.0 112.342 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.4 p -71.11 -16.7 62.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.948 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.1 m -47.75 -48.06 30.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.004 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -98.26 -48.36 5.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t0 50.46 74.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.87 43.45 1.41 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -54.54 -33.57 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.992 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.3 145.03 35.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 108.311 177.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.56 167.08 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 56.88 45.01 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 173.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.74 -12.72 68.91 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 169.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.38 151.48 17.92 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.4 t -111.85 142.32 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -93.62 137.57 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 108.289 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 33.1 mtp -134.01 168.91 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 28' ' ' SER . 6.6 t-160 -124.62 157.38 35.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.615 -176.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.87 152.31 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 173.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -116.07 9.08 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.5 p -77.39 -33.8 55.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.63 15.71 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t70 55.57 30.32 15.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.556 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.4 t -91.81 166.24 12.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.932 -175.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 67.3 m-85 -117.53 127.18 53.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.587 1.179 . . . . 0.0 111.015 175.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.1 t -113.0 -169.09 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 -174.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.0 139.96 15.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 108.33 -175.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -111.89 127.32 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 168.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 1.4 t -94.93 -159.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.328 -167.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.96 -171.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -169.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.8 mt -67.85 136.85 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -176.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.18 31.18 26.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.518 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 4.2 m-85 -146.88 124.79 11.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 0.718 . . . . 0.0 111.007 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 t -161.45 -169.98 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 108.53 36.41 2.26 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 4.3 t0 76.8 -63.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 109.359 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.532 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 55.8 mtm180 -85.38 -69.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 158.65 50.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 108.348 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.4 -51.07 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.233 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.0 m -68.38 100.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.475 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 1.5 ttp85 -81.9 93.58 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.247 178.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.57 -158.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -112.16 -72.64 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.0 ttm-85 61.92 47.13 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.318 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.426 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 0.0 OUTLIER 58.88 162.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 108.015 -177.543 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 49' ' ' TRP . 16.2 m95 -157.23 179.65 9.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 107.991 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.58 151.9 50.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -172.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 pp -142.64 158.21 43.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.231 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.0 m120 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -54.14 131.39 41.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -124.11 137.11 28.43 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.74 104.72 1.19 Allowed 'Trans proline' 0 CA--C 1.519 -0.265 0 C-N-CA 120.955 1.103 . . . . 0.0 112.365 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.28 148.85 16.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.421 1.075 . . . . 0.0 110.982 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -175.92 101.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -178.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.79 -179.86 2.74 Favored 'Trans proline' 0 CA--C 1.52 -0.182 0 C-N-CA 120.953 1.102 . . . . 0.0 112.307 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.2 p -78.0 -11.5 59.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.022 -177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.4 t -55.25 -51.64 65.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.004 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -91.53 -9.76 43.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 42.39 60.73 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.27 -40.73 2.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 59.29 14.49 3.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.968 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -129.44 146.42 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 108.322 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 1.8 pp -134.24 178.92 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 15.8 m-20 66.4 -71.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 175.73 75.57 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.63 167.14 25.14 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.5 t -112.41 153.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.0 t -90.99 142.62 27.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 108.322 -175.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.6 mtp -148.12 130.04 15.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 28' ' ' SER . 5.7 t-160 -81.98 153.01 26.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' ' CG ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -108.23 -26.78 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.389 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 25' ' ' SER . 8.0 pt-20 46.59 -176.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 -178.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.2 p 82.0 -38.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 mt -130.52 13.62 5.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 175.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t0 58.17 37.09 26.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 35.4 t -100.3 146.35 27.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.411 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 70.1 m-85 -118.83 149.77 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 t -141.74 -173.12 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.1 m -147.46 138.23 23.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.337 -177.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -109.73 111.98 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 170.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.5 t -99.7 -79.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.295 -168.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.11 -165.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -175.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mt -71.27 121.32 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -176.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.0 11.19 50.43 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.461 ' CE1' ' CB ' ' A' ' 45' ' ' ARG . 2.0 m-85 -113.77 113.25 24.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.982 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -169.61 -159.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.069 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 108.82 60.17 0.53 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 111.055 177.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 19.2 t0 80.66 -53.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 0.796 . . . . 0.0 109.221 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 42' ' ' CYS . 16.6 mtt85 -119.02 -72.82 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 41' ' ' ARG . 43.9 t 175.09 37.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 108.325 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -83.36 -34.01 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -84.46 86.27 7.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 2.5 ptp85 -87.44 114.62 24.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 175.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -58.08 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -175.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 79.3 mt -134.52 -49.17 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 -177.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 10.9 ttt180 82.47 51.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -70.82 -15.32 62.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 107.992 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -81.53 74.5 8.52 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -140.53 -59.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 mt -84.06 151.62 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.4 m120 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -131.65 141.39 49.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -136.88 135.45 20.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.89 102.45 0.89 Allowed 'Trans proline' 0 CA--C 1.519 -0.227 0 C-N-CA 120.977 1.118 . . . . 0.0 112.291 173.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.46 151.18 22.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.41 89.56 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.76 -174.58 0.75 Allowed 'Trans proline' 0 CA--C 1.52 -0.215 0 C-N-CA 121.04 1.16 . . . . 0.0 112.293 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -56.19 -26.39 50.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.3 t -61.78 -39.58 92.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -108.39 45.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 111.058 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -93.46 39.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.94 39.67 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -96.25 -15.88 21.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 111.026 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -103.55 130.31 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 0.0 108.323 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.37 -136.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -87.59 49.93 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 -171.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.74 85.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.409 1.068 . . . . 0.0 110.994 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.53 155.98 17.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.21 142.26 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.36 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.4 t -88.65 136.32 33.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.323 -174.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.7 ptm -149.82 171.65 16.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 111.025 173.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 28' ' ' SER . 7.5 t-80 -118.09 147.88 42.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.604 -172.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -115.41 128.99 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 169.41 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -93.18 -10.21 36.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.297 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.0 p -69.26 -39.7 78.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 mt -119.92 7.23 10.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.5 t70 52.42 32.65 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.602 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -95.08 165.23 12.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -175.611 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -122.15 118.48 28.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -121.03 -174.4 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 -173.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.23 117.91 7.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 108.312 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -63.43 115.72 4.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -89.81 -167.45 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.335 -173.425 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.4 m -138.39 -170.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 -169.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.6 mt -61.77 138.67 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 -172.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.57 28.75 10.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.433 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.2 m-85 -144.43 123.26 12.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.979 -177.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -156.16 -169.78 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 107.12 32.02 3.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 16.9 t0 79.81 -61.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 81.5 mtm-85 -88.04 -69.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.232 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 156.43 43.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.286 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.7 pm0 -94.13 -24.12 17.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.268 -173.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -92.7 96.99 10.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -76.29 85.47 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -36.48 84.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.202 -177.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.31 -168.46 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -177.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -144.8 56.95 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.207 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.466 ' C ' ' CG ' ' A' ' 50' ' ' TRP . 57.1 t-105 -81.31 68.5 7.65 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.466 ' CG ' ' C ' ' A' ' 49' ' ' TRP . 1.7 m95 -156.93 -56.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 107.997 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.61 133.32 41.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -157.9 -57.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -56.08 140.0 45.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.429 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 64.6 t80 -141.31 138.49 17.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 111.018 -176.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.83 103.74 1.06 Allowed 'Trans proline' 0 CA--C 1.521 -0.151 0 C-N-CA 121.011 1.141 . . . . 0.0 112.211 175.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.09 152.63 24.25 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.67 93.04 0.27 Allowed Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.472 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 61.5 Cg_endo -68.77 -179.11 2.27 Favored 'Trans proline' 0 CA--C 1.519 -0.27 0 C-N-CA 121.035 1.157 . . . . 0.0 112.339 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 t -76.89 -11.45 59.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.998 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -50.54 -47.08 57.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.037 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -94.57 -50.79 5.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.9 t0 49.4 75.67 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 109.387 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.38 43.01 1.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.71 -45.15 70.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 111.029 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.66 163.96 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.268 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -145.38 155.37 43.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -177.407 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.7 p30 33.32 71.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 173.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.1 -47.77 1.0 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 164.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.82 150.28 42.95 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -174.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 t -122.7 144.07 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 t -83.55 141.64 31.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.371 -172.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.1 mtp -144.6 169.06 18.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' A' ' 28' ' ' SER . 1.9 t-160 -117.67 148.72 41.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.578 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -102.7 -41.35 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 178.618 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 23' ' ' ILE . 13.3 tt0 83.89 -48.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 171.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.0 t -61.22 -32.19 71.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.038 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.09 1.22 20.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t70 56.4 28.46 13.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -176.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.555 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -105.89 158.5 16.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 -177.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.472 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 86.7 m-85 -114.65 111.0 20.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 176.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -95.48 -171.56 2.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -171.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.9 m -151.23 122.29 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 108.314 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -91.39 124.94 35.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -93.46 -172.68 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 108.301 -169.23 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 p -139.59 -171.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -168.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mt -62.73 137.94 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.05 30.72 47.02 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 45' ' ' ARG . 6.7 m-85 -150.49 125.19 9.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 110.949 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 m -155.93 177.34 11.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 112.96 36.94 1.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 4.9 t70 76.19 -65.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 109.321 -177.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.618 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 2.4 mpp_? -83.02 -69.43 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -178.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.618 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 1.4 m 150.37 48.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 108.294 177.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 44' ' ' THR . 16.4 pm0 -98.75 -26.55 14.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 -174.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.417 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 27.7 m -86.84 98.07 11.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.462 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 1.4 ttm180 -79.48 98.24 6.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' ARG . 5.9 m-20 -96.98 -178.48 4.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 177.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 47.39 -93.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.1 ttp-105 70.1 32.35 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.319 -178.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.59 16.65 19.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.022 -178.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 7.8 p-90 -134.12 20.41 3.75 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -172.0 153.25 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.258 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -88.91 -45.73 9.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.3 m120 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -82.78 112.14 19.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -112.75 136.23 21.6 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.73 109.22 2.05 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 C-N-CA 121.031 1.154 . . . . 0.0 112.354 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.91 131.97 3.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.1 m -150.72 77.08 7.98 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.79 -176.3 1.18 Allowed 'Trans proline' 0 CA--C 1.52 -0.186 0 C-N-CA 120.967 1.111 . . . . 0.0 112.287 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.2 p -82.59 0.11 44.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.061 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.6 m -50.95 -55.7 15.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.074 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.455 ' CD2' ' N ' ' A' ' 11' ' ' ASP . 16.9 p90 -119.36 -44.42 2.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 111.03 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.455 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 33.6 t0 47.33 80.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.99 52.46 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.433 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 3.3 t80 -85.06 -1.87 57.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 111.02 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 m -115.65 119.74 37.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 7.7 mt -97.6 155.42 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 5.9 m-20 76.31 -55.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -176.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.21 -85.23 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.8 -164.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.6 t -142.94 141.63 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.3 t -79.42 136.97 37.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.278 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.21 130.87 8.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.169 . . . . 0.0 111.002 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 28' ' ' SER . 14.0 t-80 -92.92 158.63 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.593 -175.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -121.88 159.92 24.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 175.588 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 25' ' ' SER . 6.6 mm-40 -120.19 173.48 7.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 1.059 . . . . 0.0 110.29 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 87.81 -37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mt -122.07 2.61 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t70 51.16 33.63 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.578 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 5.0 t -88.45 161.61 16.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.483 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 71.0 m-85 -117.84 150.83 38.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.8 t -145.5 -176.07 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.1 m -152.87 124.82 7.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 108.308 -175.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -68.52 118.02 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 172.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -103.41 -168.45 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 108.277 -170.114 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.8 m -143.43 173.11 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -171.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.431 ' HA ' ' CZ2' ' A' ' 50' ' ' TRP . 7.1 mt -53.81 133.28 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 0.0 109.353 -174.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.83 20.26 79.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.492 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 74.8 m-85 -158.5 131.24 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 110.968 178.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -155.04 179.79 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.971 175.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.76 -169.97 14.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -76.01 -12.59 60.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.254 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.513 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 58.1 mtt85 -129.58 -68.47 0.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 176.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.2 m 160.51 46.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 108.324 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.24 -44.52 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -171.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -65.31 101.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.409 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -79.43 98.32 6.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 176.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -34.99 78.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -175.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.2 mt 49.56 68.75 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -175.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.501 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 0.0 OUTLIER 173.47 115.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -174.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -62.32 129.21 39.68 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.501 ' CD1' ' O ' ' A' ' 48' ' ' ARG . 1.2 m0 -89.13 -15.1 34.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -122.5 -176.77 3.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.217 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.5 mt -117.75 -65.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.8 mtm105 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.661 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 22.6 m120 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -85.09 131.99 34.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -129.71 137.59 31.25 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.75 111.68 2.67 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 120.996 1.13 . . . . 0.0 112.333 175.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.57 153.75 24.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.72 96.12 0.19 Allowed Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.82 -172.44 0.48 Allowed 'Trans proline' 0 CA--C 1.519 -0.26 0 C-N-CA 120.973 1.116 . . . . 0.0 112.282 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 p -66.7 -22.89 66.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 t -73.78 -9.93 59.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -128.83 84.18 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -79.19 66.31 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.373 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.32 -34.68 5.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.8 t80 42.55 35.02 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 0.752 . . . . 0.0 111.009 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.14 131.55 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.68 151.59 39.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 53.93 55.78 7.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.216 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.62 105.71 0.2 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 173.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.51 157.3 14.83 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.24 152.59 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 177.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.8 t -85.33 144.76 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.287 -172.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 37.1 mtp -149.7 119.6 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 172.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 28' ' ' SER . 17.8 t-80 -81.82 162.41 22.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -172.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -124.63 151.83 30.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 174.519 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -118.92 9.97 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.8 m -79.82 -37.81 34.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.19 15.46 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 59.03 25.41 13.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -174.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.562 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.2 t -89.85 168.31 12.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.419 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 78.7 m-85 -116.63 144.78 43.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 111.049 175.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -134.4 -174.53 3.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.69 150.96 25.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -173.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 32' ' ' ASN . 5.9 p-10 -124.44 125.83 44.91 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 170.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.539 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 72.4 m -112.8 -111.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.378 1.049 . . . . 0.0 108.333 -164.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.7 -165.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -169.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.1 pt -67.43 123.28 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.73 9.39 45.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.534 ' CZ ' ' HG2' ' A' ' 45' ' ' ARG . 4.3 m-85 -116.74 126.89 53.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 111.042 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -170.44 -159.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.0 -174.15 16.16 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -55.35 -35.58 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.277 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.539 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 87.8 mtm-85 -120.81 -81.49 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 172.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.9 m -154.19 26.12 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 173.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.0 tt0 -63.01 -43.24 99.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -170.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 m -60.89 81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 110.429 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.534 ' HG2' ' CZ ' ' A' ' 37' ' ' TYR . 1.4 ttp-105 -80.27 141.07 35.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -175.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -63.64 -161.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.4 mp -109.46 35.82 3.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 61.49 53.79 3.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -61.25 -24.41 66.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.539 1.15 . . . . 0.0 107.992 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -59.5 -42.35 91.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -178.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -93.93 165.79 12.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.325 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -47.24 71.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -84.55 111.83 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 110.054 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -119.93 138.49 26.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.87 116.55 4.52 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 120.985 1.124 . . . . 0.0 112.272 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.45 150.76 13.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 p 179.66 96.97 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.78 179.8 2.95 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 121.088 1.192 . . . . 0.0 112.258 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.9 p -76.66 -11.68 59.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -50.05 -42.84 50.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.96 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -94.3 -57.23 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.98 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 46.36 77.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.66 47.16 0.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -93.37 11.64 27.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.937 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -131.38 129.1 40.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 108.243 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt -123.56 175.73 6.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 50.04 46.34 24.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.12 53.02 49.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.12 158.79 14.66 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -106.19 159.79 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.36 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 143.22 29.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 -175.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.5 126.58 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 175.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 28' ' ' SER . 21.4 t-80 -94.48 155.57 16.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.55 -176.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.96 150.11 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 175.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -124.9 23.3 7.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -176.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.4 t -98.2 -37.67 9.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -121.22 9.41 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.76 25.3 14.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -174.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -92.76 167.95 11.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.058 -178.341 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.433 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 75.5 m-85 -115.19 151.12 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 175.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.1 t -145.72 -173.32 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.459 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.6 m -156.55 131.13 8.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 -175.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -70.66 145.16 50.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 176.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.1 m -129.32 -166.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.359 -173.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.7 m -132.34 -177.98 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -172.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.406 HG21 ' CE2' ' A' ' 50' ' ' TRP . 2.6 mt -59.25 136.61 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.457 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 59.39 37.7 92.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -176.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.457 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 29.2 m-85 -164.43 113.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 0.795 . . . . 0.0 110.966 175.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.8 p -165.32 -174.84 3.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.989 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.36 34.91 4.6 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 66.54 125.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 0.74 . . . . 0.0 109.334 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 69.44 5.33 5.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 m 60.49 89.44 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.409 1.068 . . . . 0.0 108.286 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -125.43 -58.85 1.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.282 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -57.82 97.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.442 178.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 111.49 17.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t0 70.76 -174.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 174.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.5 mp 59.16 60.33 2.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.601 1.188 . . . . 0.0 109.29 -175.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -167.87 70.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -177.757 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.423 ' O ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER 64.89 132.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 175.398 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.406 ' CE2' HG21 ' A' ' 35' ' ' ILE . 39.5 m95 -160.86 -71.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.028 177.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -127.68 156.14 42.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 tt -150.78 132.37 14.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.335 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -91.84 138.24 31.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.935 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.401 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 58.4 t80 -139.43 130.41 14.69 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -177.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.78 100.58 0.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 121.031 1.154 . . . . 0.0 112.268 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.85 149.82 11.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.616 1.197 . . . . 0.0 111.036 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 p 173.11 116.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.77 -177.38 1.53 Allowed 'Trans proline' 0 CA--C 1.52 -0.187 0 C-N-CA 120.964 1.109 . . . . 0.0 112.269 -176.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m -62.52 -21.8 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.935 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -56.08 -33.02 64.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 109.978 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -111.47 46.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -90.62 43.03 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.4 40.57 0.05 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.499 1.125 . . . . 0.0 110.953 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -107.66 7.48 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 0.796 . . . . 0.0 111.056 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.84 111.74 10.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 108.278 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -100.94 169.04 9.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -176.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 47.43 61.33 2.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.2 175.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.8 58.34 12.85 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.522 1.139 . . . . 0.0 110.949 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.31 157.7 15.79 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.63 153.6 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.3 t -93.33 147.65 22.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.267 -173.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.7 tpt -159.56 144.77 15.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 175.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 28' ' ' SER . 6.5 t-80 -100.56 154.98 18.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.59 -173.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.52 140.98 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 169.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -107.34 4.1 26.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 -175.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m -76.0 -37.07 58.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.891 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.22 14.14 4.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t70 56.67 27.79 13.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.301 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.596 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 7.2 t -84.99 166.09 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.017 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.41 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 53.6 m-85 -120.91 118.7 30.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 176.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t -113.46 -172.95 2.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 110.45 -174.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.3 m -158.4 126.91 5.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 108.338 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -96.61 104.69 16.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 173.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 53.5 t -76.94 -102.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.05 . . . . 0.0 108.292 -166.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 35' ' ' ILE . 1.5 p -159.86 -167.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -168.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.421 ' N ' HG12 ' A' ' 34' ' ' VAL . 3.7 mt -56.02 138.55 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -175.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.04 46.29 5.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.14 . . . . 0.0 110.949 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.485 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 5.8 m-85 -162.64 128.65 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.969 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 p -171.85 -161.57 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.609 1.193 . . . . 0.0 109.995 175.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.66 -145.41 18.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.51 -24.74 39.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 0.0 109.214 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -132.66 -81.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.2 35.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.296 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -104.43 -7.86 19.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -171.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.1 m -112.77 108.88 18.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.449 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -75.16 86.41 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 174.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.76 -52.19 2.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -173.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.6 mt -58.24 171.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.9 ttm105 -174.31 62.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -61.93 -36.27 80.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.77 70.1 9.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 108.048 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -95.06 -8.76 35.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.243 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.66 165.98 27.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.24 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.65 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.1 m120 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -151.02 124.12 8.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.971 177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -138.02 133.55 17.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.74 103.83 1.06 Allowed 'Trans proline' 0 CA--C 1.519 -0.226 0 C-N-CA 121.016 1.144 . . . . 0.0 112.304 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.03 152.5 22.9 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.163 . . . . 0.0 110.97 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.1 m 177.97 97.78 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.76 -178.54 2.01 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 121.065 1.177 . . . . 0.0 112.211 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 t -81.86 -5.28 58.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -49.11 -43.72 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.957 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -92.19 -51.28 5.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.7 t0 53.2 79.97 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.18 41.94 2.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -74.73 -17.67 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 110.94 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 14.1 m -119.77 118.64 31.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 108.363 -178.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.24 177.26 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 51.05 63.5 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.55 30.5 59.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.38 141.81 15.83 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.4 t -102.94 148.5 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 0.746 . . . . 0.0 109.237 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.411 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -97.41 136.93 37.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.331 -174.726 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mmt -142.16 166.68 24.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.483 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 4.3 t-160 -119.94 152.32 37.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.6 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 mm -108.86 -31.64 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 25' ' ' SER . 4.1 tt0 64.62 162.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.3 p 83.71 -33.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -123.45 8.22 9.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 175.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.9 t0 50.04 32.35 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 -171.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.3 115.19 26.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 -173.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.483 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 97.7 m-85 -94.15 118.64 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 177.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -98.75 179.2 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.437 -174.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.3 m -142.76 104.11 4.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.265 -175.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -67.7 143.26 56.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 170.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.537 ' SG ' ' C ' ' A' ' 37' ' ' TYR . 1.8 t -118.77 -158.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 108.326 -169.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' TYR . 2.0 p -153.68 -177.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -172.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.413 HD12 ' CZ3' ' A' ' 49' ' ' TRP . 45.3 mt -68.6 129.06 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -177.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 83.99 17.15 65.87 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -178.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 98.9 m-85 -161.88 136.27 6.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 0.0 110.989 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.7 t -157.52 176.77 12.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 0.0 109.993 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.62 -166.25 15.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 0.0 111.057 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -95.18 -1.66 51.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -144.25 20.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.7 t 48.07 74.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 108.336 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.2 -49.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 -170.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -61.16 99.94 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 110.451 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.501 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -74.16 114.36 12.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.258 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.09 -163.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 175.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.0 mt -142.51 -62.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 -175.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -129.46 58.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 -170.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.413 ' CZ3' HD12 ' A' ' 35' ' ' ILE . 7.2 t90 -72.72 -16.59 61.66 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 173.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -81.1 -36.34 30.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.156 . . . . 0.0 108.0 -173.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -83.09 -44.83 14.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.408 1.068 . . . . 0.0 110.247 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp -144.84 124.07 12.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.177 . . . . 0.0 109.336 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 -179.495 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 p -80.11 141.84 35.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.05 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 62.8 t80 -138.6 134.18 17.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 111.024 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.79 101.38 0.77 Allowed 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 120.962 1.108 . . . . 0.0 112.311 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.94 148.1 8.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 111.075 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.7 p 177.87 122.56 0.19 Allowed Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.77 -178.06 1.81 Allowed 'Trans proline' 0 CA--C 1.52 -0.217 0 C-N-CA 121.016 1.144 . . . . 0.0 112.316 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -85.82 0.38 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.048 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.5 t -61.83 -38.08 86.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.07 . . . . 0.0 110.031 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -92.53 1.33 57.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 55.79 42.03 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 109.283 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.16 -33.36 4.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 64.8 12.34 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 111.013 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.2 114.98 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 108.346 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 1.1 mm? -111.85 167.13 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 12.8 m-20 78.36 -58.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.247 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.63 48.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.15 167.48 21.59 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.0 t -108.95 151.15 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 0.735 . . . . 0.0 109.328 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 t -92.18 147.29 23.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 108.302 -171.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.7 tpt -158.25 142.82 16.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 28' ' ' SER . 6.0 t-160 -97.26 157.31 16.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.556 1.16 . . . . 0.0 109.59 -173.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.81 154.63 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 172.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 25' ' ' SER . 49.5 mt-10 -117.09 174.15 6.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.2 t 88.07 -33.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -178.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mt -126.83 7.72 6.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.285 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 44.27 47.14 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.606 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 17.8 t -96.78 163.53 12.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -178.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.486 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 55.1 m-85 -125.06 137.54 54.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 177.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -136.91 -176.21 4.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 -173.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.1 m -156.84 137.17 12.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 -175.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -93.03 134.64 34.96 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.4 m -107.69 -167.32 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 108.344 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.07 -167.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -166.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.589 ' CG2' ' CZ2' ' A' ' 50' ' ' TRP . 0.3 OUTLIER -46.75 136.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.24 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.63 39.38 2.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.915 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.481 ' CE1' ' HG2' ' A' ' 45' ' ' ARG . 9.4 m-85 -149.64 123.05 9.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 111.031 175.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p -162.39 163.86 27.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 139.08 46.69 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' GLY . 5.2 p-10 36.94 46.14 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 0.818 . . . . 0.0 109.27 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 27.1 ttt180 163.06 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -175.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 3.5 m 84.15 61.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.306 175.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -105.19 -39.8 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.5 m -85.77 119.0 25.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 -171.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.481 ' HG2' ' CE1' ' A' ' 37' ' ' TYR . 47.7 mtt180 -83.48 88.52 7.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 172.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.65 -71.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 109.335 -174.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.84 173.08 6.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -176.04 64.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.445 ' CD1' ' HE3' ' A' ' 50' ' ' TRP . 2.1 p90 -91.96 25.2 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 108.031 173.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.589 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 24.7 p90 -128.43 23.0 5.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 108.044 175.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -158.23 -55.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.2 mt -82.1 -49.37 10.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.7 mtm-85 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 m -72.36 101.03 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -102.69 134.02 20.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.927 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.84 113.29 3.17 Favored 'Trans proline' 0 CA--C 1.52 -0.208 0 C-N-CA 121.019 1.146 . . . . 0.0 112.267 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.425 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -171.92 154.43 21.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.2 m 179.07 101.98 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.8 -172.26 0.46 Allowed 'Trans proline' 0 CA--C 1.519 -0.234 0 C-N-CA 121.034 1.156 . . . . 0.0 112.285 -176.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.1 m -67.04 -23.38 65.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.977 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -76.06 -5.89 48.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' CE2' ' CG ' ' A' ' 29' ' ' TYR . 20.5 m-85 -128.5 79.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -78.7 64.6 3.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.365 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.441 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 107.73 -43.84 1.61 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.417 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 16.7 t80 49.14 20.96 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 0.777 . . . . 0.0 111.005 -177.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 58.0 m -132.96 133.37 43.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 108.226 -176.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.603 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -129.83 164.82 23.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 175.189 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 10.0 m120 81.06 -50.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.28 87.41 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.529 1.143 . . . . 0.0 111.058 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.16 164.86 33.55 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.3 t -107.96 148.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.724 . . . . 0.0 109.375 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.84 135.38 41.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 108.28 -176.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.9 tpt -154.04 128.47 9.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.951 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 28' ' ' SER . 15.1 t-80 -92.0 160.17 15.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 109.636 -173.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.14 159.68 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 173.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 25' ' ' SER . 36.5 mt-10 -123.68 173.71 7.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.316 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 87.83 -35.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.982 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -123.26 5.49 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 175.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 46.24 45.88 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.593 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 5.0 t -103.74 165.47 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.413 ' CG ' ' CE2' ' A' ' 10' ' ' TYR . 74.0 m-85 -120.56 151.38 39.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 t -147.18 -171.29 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 110.375 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 9.9 m -147.87 133.24 18.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.299 -174.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -74.81 116.49 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 171.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.2 m -111.05 -166.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 108.336 -169.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' ILE . 17.0 m -141.74 -169.48 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 -168.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.472 HG21 ' CD2' ' A' ' 49' ' ' TRP . 13.3 mt -39.43 118.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -177.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.88 -37.05 1.46 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 171.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.482 ' CE2' ' OD1' ' A' ' 46' ' ' ASP . 35.6 m-85 -75.8 127.51 33.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 110.947 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.4 p -161.98 -168.82 2.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.978 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.26 -174.26 54.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -65.72 115.0 5.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 75.71 14.15 2.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.6 m 68.15 20.79 8.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 108.273 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -54.71 -40.94 69.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.3 m -66.22 89.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 46' ' ' ASP . 4.6 ttm105 -66.46 152.1 45.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 -176.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.482 ' OD1' ' CE2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -38.97 -59.8 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 178.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 12.8 mt 65.97 43.04 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -170.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 31.6 ttt180 79.7 71.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 176.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.514 ' CD2' ' O ' ' A' ' 49' ' ' TRP . 4.0 t90 -86.16 -5.7 59.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 0.0 108.067 173.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.446 ' CD1' ' N ' ' A' ' 50' ' ' TRP . 0.1 OUTLIER -108.3 79.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 -166.076 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.23 -57.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.285 -177.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.7 mt -88.59 -36.32 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.725 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -131.23 163.7 27.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.074 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -142.68 132.23 12.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 -174.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.8 100.51 0.71 Allowed 'Trans proline' 0 CA--C 1.521 -0.17 0 C-N-CA 121.041 1.161 . . . . 0.0 112.231 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.61 149.56 19.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.09 110.71 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -177.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 8' ' ' SER . 61.1 Cg_endo -68.87 -34.33 18.16 Favored 'Trans proline' 0 CA--C 1.52 -0.188 0 C-N-CA 120.937 1.091 . . . . 0.0 112.323 177.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 1.1 p 80.34 6.49 1.61 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 1.182 . . . . 0.0 110.062 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 t -87.53 0.43 55.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.408 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 33.7 m-85 -78.77 -89.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 1.3 m-20 163.72 88.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.03 50.76 7.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -49.38 -24.62 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 111.001 179.491 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -125.9 124.44 40.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 108.309 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.3 OUTLIER -129.85 152.69 49.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -174.323 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 9.7 m-20 81.79 -54.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 173.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.92 83.12 0.05 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.574 1.171 . . . . 0.0 111.02 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -157.75 149.89 20.57 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 177.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.05 155.05 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.35 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -90.27 129.27 36.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 108.257 -175.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.0 mmt -137.57 134.74 35.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.908 174.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.542 ' CD2' ' O ' ' A' ' 28' ' ' SER . 8.0 t-160 -92.91 158.05 16.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 -170.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.91 155.81 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 174.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -124.9 15.78 8.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 t -79.85 -30.98 40.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.11 19.53 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 t70 57.63 27.99 15.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -173.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.542 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 5.1 t -89.18 168.91 11.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -175.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -120.02 152.14 37.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.6 t -143.34 -172.65 3.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.6 m -148.51 132.75 17.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 108.278 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -82.46 123.67 29.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 170.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -89.33 -163.53 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.322 -170.56 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 p -147.26 -171.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -168.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.7 mm -59.3 141.47 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -173.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.67 32.92 8.49 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.427 1.079 . . . . 0.0 110.992 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.438 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 5.3 m-85 -153.37 129.08 10.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 111.032 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.5 m -147.07 174.41 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.57 172.56 14.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.51 -16.4 60.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -126.51 -69.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 174.833 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.1 m 164.94 38.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 108.307 177.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -87.86 -26.71 22.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -172.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.0 m -76.71 78.44 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -74.33 118.96 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 177.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -69.48 -154.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -108.61 -57.37 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -175.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 55.4 ttt-85 -169.66 75.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.244 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -85.35 64.26 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -143.94 30.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -159.92 163.13 34.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 -176.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -146.62 154.73 41.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.1 mtm-85 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 110.325 -179.478 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.0 p30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m -77.5 104.05 7.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -108.57 134.29 20.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.944 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.73 112.14 2.8 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 121.035 1.157 . . . . 0.0 112.317 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.85 149.56 18.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.65 96.7 0.24 Allowed Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.72 -179.33 2.39 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 C-N-CA 121.014 1.143 . . . . 0.0 112.303 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 t -69.7 -19.51 63.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 0.0 109.977 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -76.28 -14.09 60.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -114.57 50.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -177.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -94.46 47.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.74 45.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 30.1 t80 -110.4 17.33 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 111.039 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -140.01 116.65 10.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 108.287 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -94.75 172.96 7.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 54.24 35.79 23.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.23 34.53 74.23 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.76 158.67 48.85 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.4 t -95.27 149.65 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 t -90.92 140.08 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 -175.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.5 ttt -154.96 130.4 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.075 . . . . 0.0 111.006 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 28' ' ' SER . 13.1 t-80 -89.43 159.44 17.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.56 -171.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.02 151.12 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 173.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -122.09 12.15 10.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.2 t -81.78 -32.03 31.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.2 19.57 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 52.62 39.39 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -174.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.569 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.1 t -107.14 170.68 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 -176.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.411 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 54.2 m-85 -118.27 149.27 41.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 175.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.1 t -139.34 -176.36 4.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.451 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 27.4 m -154.84 129.08 8.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.32 -173.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -76.46 115.19 15.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 172.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.9 m -106.41 -141.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 108.276 -169.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.26 -175.51 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.39 144.86 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -175.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.69 34.8 15.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -176.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.617 ' CZ ' ' HG3' ' A' ' 45' ' ' ARG . 1.1 m-85 -154.13 114.1 3.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 110.953 -178.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.0 p -163.64 -157.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.63 -89.77 0.79 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.434 1.084 . . . . 0.0 111.002 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -168.37 125.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.371 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 ttm105 69.45 17.39 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -173.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 m 60.95 78.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.313 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 43' ' ' GLN . 6.1 tp60 -119.45 -52.77 2.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -170.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.0 m -64.88 83.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 176.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.617 ' HG3' ' CZ ' ' A' ' 37' ' ' TYR . 34.7 ttp-105 -83.21 99.92 10.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.49 -175.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 mt -75.53 -11.81 60.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -176.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 62.82 62.99 1.01 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 172.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -49.32 143.67 6.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 108.042 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -142.45 172.4 12.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 107.973 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -144.99 153.63 41.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.354 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.7 164.65 36.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 p -93.15 98.88 11.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -104.18 132.63 20.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.79 115.46 3.96 Favored 'Trans proline' 0 CA--C 1.519 -0.225 0 C-N-CA 121.0 1.133 . . . . 0.0 112.313 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 6' ' ' CYS . . . 179.23 156.0 16.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 5' ' ' GLY . 2.1 p 166.14 85.63 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 9' ' ' SER . 61.2 Cg_endo -68.77 158.52 57.49 Favored 'Trans proline' 0 CA--C 1.52 -0.204 0 C-N-CA 120.998 1.132 . . . . 0.0 112.374 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t 57.43 8.2 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.985 -172.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 7' ' ' PRO . 8.7 t 51.14 22.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 -175.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 9' ' ' SER . 2.8 m-85 33.04 47.07 0.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -174.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t0 53.52 69.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.345 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 49.48 42.24 34.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 175.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -48.42 -32.33 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 111.003 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 4.2 m -123.31 145.89 48.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.39 176.02 12.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -177.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 51.12 64.53 1.8 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.99 19.12 69.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.89 112.02 4.25 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.0 t -84.9 143.2 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.243 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 23.8 t -88.66 130.29 35.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 108.255 -174.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 87.1 mmm -143.68 123.11 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 28' ' ' SER . 21.7 t-80 -88.42 146.74 25.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.67 -174.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.57 145.79 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.629 1.206 . . . . 0.0 109.277 174.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -119.37 14.75 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.316 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.4 m -92.07 -33.25 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.969 176.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -122.39 9.28 9.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 56.32 26.56 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.629 1.206 . . . . 0.0 109.324 -167.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.636 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 8.6 p -90.1 167.39 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.02 -173.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.412 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 31.9 m-85 -120.69 145.28 47.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 175.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.77 173.79 11.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -174.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.8 m -143.65 110.26 5.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 108.359 -173.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -73.49 101.98 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.6 m -87.21 -166.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 108.379 -172.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 p -142.32 -168.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 109.389 -169.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.7 mm -55.63 137.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -174.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.74 32.77 8.57 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -147.89 123.06 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.6 p -160.77 -159.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.33 37.45 4.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 45.2 47.58 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 29.0 ttm105 173.14 -31.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 110.259 -176.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 3.2 m 84.46 18.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 175.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -85.45 -23.1 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.267 176.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 m -86.95 108.03 18.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -76.58 95.78 4.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -38.59 74.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -178.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.0 71.2 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 177.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -153.88 29.9 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.291 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -130.17 15.17 5.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 108.0 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.43 ' CD1' ' N ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -145.48 -59.34 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -177.402 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -85.11 153.57 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.33 35.99 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.866 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 p30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -73.31 106.15 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.016 177.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -112.48 136.93 21.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 111.024 -176.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.74 120.11 7.06 Favored 'Trans proline' 0 CA--C 1.52 -0.206 0 C-N-CA 120.974 1.116 . . . . 0.0 112.314 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.61 154.64 15.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.84 96.35 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.78 179.86 2.91 Favored 'Trans proline' 0 CA--C 1.52 -0.181 0 C-N-CA 120.977 1.118 . . . . 0.0 112.341 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.7 m -78.69 -9.92 59.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.049 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.2 t -50.26 -44.51 53.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.928 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -88.62 -55.76 3.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 46.29 70.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.55 45.81 0.31 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -84.23 -2.21 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 111.021 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.3 m -126.12 146.49 49.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 108.344 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.92 174.01 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 48.1 39.92 12.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.217 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.26 86.56 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 175.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.02 149.24 17.41 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.5 160.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.29 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.78 139.6 31.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.327 -173.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.7 ttt -154.39 137.7 15.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 176.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' 28' ' ' SER . 11.7 t-80 -93.58 160.13 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 -174.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.54 162.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 174.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 25' ' ' SER . 9.1 mm-40 -124.41 173.87 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 88.43 -34.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mt -125.93 6.87 7.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 175.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 45.63 44.02 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -177.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.567 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.7 t -101.63 163.43 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.416 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 75.2 m-85 -118.49 154.8 31.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.2 t -147.81 -174.24 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.7 m -148.22 132.98 17.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.296 -175.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -83.66 120.69 26.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 174.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.18 -165.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.338 -173.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.485 ' O ' ' O ' ' A' ' 37' ' ' TYR . 4.2 m -134.76 171.26 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 -173.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.46 129.28 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 174.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . 96.87 -34.73 4.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.545 1.153 . . . . 0.0 111.099 -179.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.486 ' HA ' ' O ' ' A' ' 44' ' ' THR . 90.6 m-85 -119.32 141.88 48.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 0.79 . . . . 0.0 111.007 -175.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 p -164.81 173.79 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.96 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.61 165.96 11.88 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -50.44 -31.72 15.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.519 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 44.6 mtm-85 -113.11 -58.91 2.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.346 173.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 163.65 38.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 108.311 176.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -59.54 -60.55 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -170.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.1 m -46.69 144.51 2.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.16 . . . . 0.0 110.415 178.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.493 ' C ' ' O ' ' A' ' 36' ' ' GLY . 73.9 mtt180 -128.51 153.69 46.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -174.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.457 ' HA ' ' CA ' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -39.38 -30.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 177.729 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.464 ' N ' ' C ' ' A' ' 45' ' ' ARG . 4.0 mm? -72.45 64.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 173.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 166.45 82.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 110.333 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.61 -177.51 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.028 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.617 ' N ' ' CD1' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -150.39 -63.75 0.2 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 0.0 108.039 -174.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.06 -80.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.44 165.62 28.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 178.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 179.462 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.4 m120 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -128.49 144.23 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.019 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -142.83 139.97 17.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -174.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.79 124.6 11.65 Favored 'Trans proline' 0 CA--C 1.521 -0.164 0 C-N-CA 120.97 1.113 . . . . 0.0 112.269 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.65 149.74 10.31 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.4 t -173.62 89.12 0.37 Allowed Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.77 -175.93 1.07 Allowed 'Trans proline' 0 CA--C 1.519 -0.249 0 C-N-CA 120.95 1.1 . . . . 0.0 112.328 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -88.37 5.34 42.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.6 m -55.26 -39.64 70.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -103.84 -146.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.051 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 169.98 94.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.31 47.43 4.93 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.566 1.167 . . . . 0.0 110.997 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -64.35 -23.7 67.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.616 0.833 . . . . 0.0 111.057 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.46 134.23 48.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.395 1.059 . . . . 0.0 108.279 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -122.42 165.57 16.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 6.6 m120 77.74 -57.43 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 176.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.33 78.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.45 -176.22 14.67 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.5 t -125.46 150.06 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 0.725 . . . . 0.0 109.294 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.422 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 28.2 t -94.25 138.84 31.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 -175.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -151.69 144.29 24.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.992 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -88.87 159.48 17.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.575 -170.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.848 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -122.61 154.44 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 173.688 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -119.08 9.59 11.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.4 t -79.43 -38.16 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.015 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.3 15.37 4.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t70 57.9 26.46 13.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.381 -174.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.434 ' O ' HG13 ' A' ' 23' ' ' ILE . 1.4 t -90.99 166.07 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.182 . . . . 0.0 110.004 -177.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -116.47 141.38 48.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 173.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.848 ' HB ' HD11 ' A' ' 23' ' ' ILE . 14.3 t -134.76 -175.03 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' CB ' ' HA ' ' A' ' 41' ' ' ARG . 1.5 m -153.1 134.64 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 108.334 -173.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -102.46 162.57 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.56 -152.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.268 -174.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 37' ' ' TYR . 10.2 m -134.13 171.65 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -171.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 mt -51.11 125.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.613 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 97.25 3.75 58.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 -173.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.613 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 92.2 m-85 -165.94 134.74 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 111.001 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 p -170.07 -160.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 169.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.39 -143.38 16.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.08 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -74.32 -15.95 60.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -153.75 -84.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.079 . . . . 0.0 110.278 175.401 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.8 m -155.56 27.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 108.317 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -77.39 -43.6 32.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 -173.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.5 m -71.92 80.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 10.2 ptm180 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.6 m120 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -157.01 160.06 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -139.75 141.39 27.65 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -175.491 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.84 110.9 2.47 Favored 'Trans proline' 0 CA--C 1.519 -0.232 0 C-N-CA 121.0 1.133 . . . . 0.0 112.262 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.3 146.63 12.2 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -174.49 87.68 0.33 Allowed Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 61.3 Cg_endo -68.75 -178.64 2.04 Favored 'Trans proline' 0 CA--C 1.52 -0.222 0 C-N-CA 121.015 1.143 . . . . 0.0 112.342 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.4 p -71.11 -16.7 62.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.948 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.1 m -47.75 -48.06 30.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.004 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -98.26 -48.36 5.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t0 50.46 74.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.87 43.45 1.41 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -54.54 -33.57 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.992 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.3 145.03 35.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 108.311 177.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.56 167.08 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 56.88 45.01 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 173.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.74 -12.72 68.91 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 169.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.38 151.48 17.92 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.4 t -111.85 142.32 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -93.62 137.57 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 108.289 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 33.1 mtp -134.01 168.91 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -124.62 157.38 35.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.615 -176.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.481 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -130.87 152.31 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 173.565 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -116.07 9.08 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.5 p -77.39 -33.8 55.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.63 15.71 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t70 55.57 30.32 15.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -91.81 166.24 12.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.932 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 67.3 m-85 -117.53 127.18 53.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.587 1.179 . . . . 0.0 111.015 175.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.481 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.1 t -113.0 -169.09 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 -174.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.0 139.96 15.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 108.33 -175.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -111.89 127.32 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 168.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 1.4 t -94.93 -159.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.328 -167.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.96 -171.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -169.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.8 mt -67.85 136.85 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -176.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.18 31.18 26.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.518 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 4.2 m-85 -146.88 124.79 11.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 0.718 . . . . 0.0 111.007 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 t -161.45 -169.98 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 108.53 36.41 2.26 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 4.3 t0 76.8 -63.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 109.359 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.532 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 55.8 mtm180 -85.38 -69.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 158.65 50.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 108.348 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.4 -51.07 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.233 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.0 m -68.38 100.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.475 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 1.5 ttp85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.247 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.0 m120 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -54.14 131.39 41.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -124.11 137.11 28.43 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.74 104.72 1.19 Allowed 'Trans proline' 0 CA--C 1.519 -0.265 0 C-N-CA 120.955 1.103 . . . . 0.0 112.365 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.28 148.85 16.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.421 1.075 . . . . 0.0 110.982 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -175.92 101.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -178.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.79 -179.86 2.74 Favored 'Trans proline' 0 CA--C 1.52 -0.182 0 C-N-CA 120.953 1.102 . . . . 0.0 112.307 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.2 p -78.0 -11.5 59.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.022 -177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.4 t -55.25 -51.64 65.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.004 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -91.53 -9.76 43.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 42.39 60.73 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.27 -40.73 2.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 59.29 14.49 3.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.968 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -129.44 146.42 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 108.322 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 1.8 pp -134.24 178.92 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 15.8 m-20 66.4 -71.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 175.73 75.57 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.63 167.14 25.14 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.5 t -112.41 153.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.0 t -90.99 142.62 27.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 108.322 -175.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.6 mtp -148.12 130.04 15.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.473 ' CE1' ' CE1' ' A' ' 29' ' ' TYR . 7.3 t60 -81.98 153.01 26.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.741 HD11 ' HB ' ' A' ' 30' ' ' THR . 1.0 OUTLIER -108.23 -26.78 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.389 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 25' ' ' SER . 8.0 pt-20 46.59 -176.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 -178.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.2 p 82.0 -38.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 mt -130.52 13.62 5.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 175.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t0 58.17 37.09 26.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 t -100.3 146.35 27.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.473 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 70.1 m-85 -118.83 149.77 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.741 ' HB ' HD11 ' A' ' 23' ' ' ILE . 14.4 t -141.74 -173.12 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.1 m -147.46 138.23 23.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.337 -177.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -109.73 111.98 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 170.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.481 ' C ' HG22 ' A' ' 34' ' ' VAL . 11.5 t -99.7 -79.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.295 -168.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.481 HG22 ' C ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -155.11 -165.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -175.115 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mt -71.27 121.32 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -176.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.0 11.19 50.43 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.461 ' CE1' ' CB ' ' A' ' 45' ' ' ARG . 2.0 m-85 -113.77 113.25 24.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.982 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -169.61 -159.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.069 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 108.82 60.17 0.53 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 111.055 177.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 19.2 t0 80.66 -53.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 0.796 . . . . 0.0 109.221 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 42' ' ' CYS . 16.6 mtt85 -119.02 -72.82 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 41' ' ' ARG . 43.9 t 175.09 37.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 108.325 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -83.36 -34.01 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -84.46 86.27 7.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 2.5 ptp85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 175.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.4 m120 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -131.65 141.39 49.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -136.88 135.45 20.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.89 102.45 0.89 Allowed 'Trans proline' 0 CA--C 1.519 -0.227 0 C-N-CA 120.977 1.118 . . . . 0.0 112.291 173.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.46 151.18 22.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.41 89.56 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.76 -174.58 0.75 Allowed 'Trans proline' 0 CA--C 1.52 -0.215 0 C-N-CA 121.04 1.16 . . . . 0.0 112.293 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -56.19 -26.39 50.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.3 t -61.78 -39.58 92.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -108.39 45.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 111.058 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -93.46 39.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.94 39.67 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -96.25 -15.88 21.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 111.026 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -103.55 130.31 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 0.0 108.323 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.37 -136.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -87.59 49.93 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 -171.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.74 85.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.409 1.068 . . . . 0.0 110.994 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.53 155.98 17.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.21 142.26 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.36 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.4 t -88.65 136.32 33.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.323 -174.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.7 ptm -149.82 171.65 16.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 111.025 173.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 28' ' ' SER . 7.5 t-80 -118.09 147.88 42.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.604 -172.076 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.473 HD13 ' N ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -115.41 128.99 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 169.41 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -93.18 -10.21 36.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.297 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.0 p -69.26 -39.7 78.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 mt -119.92 7.23 10.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.5 t70 52.42 32.65 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.602 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -95.08 165.23 12.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -175.611 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -122.15 118.48 28.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -121.03 -174.4 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 -173.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.23 117.91 7.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 108.312 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -63.43 115.72 4.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -89.81 -167.45 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.335 -173.425 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.4 m -138.39 -170.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 -169.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.6 mt -61.77 138.67 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 -172.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.57 28.75 10.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.433 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.2 m-85 -144.43 123.26 12.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.979 -177.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -156.16 -169.78 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 107.12 32.02 3.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 16.9 t0 79.81 -61.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 81.5 mtm-85 -88.04 -69.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.232 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 156.43 43.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.286 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.7 pm0 -94.13 -24.12 17.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.268 -173.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -92.7 96.99 10.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 176.34 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.2 m120 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -56.08 140.0 45.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.429 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 64.6 t80 -141.31 138.49 17.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 111.018 -176.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.83 103.74 1.06 Allowed 'Trans proline' 0 CA--C 1.521 -0.151 0 C-N-CA 121.011 1.141 . . . . 0.0 112.211 175.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.09 152.63 24.25 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.67 93.04 0.27 Allowed Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.473 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 61.5 Cg_endo -68.77 -179.11 2.27 Favored 'Trans proline' 0 CA--C 1.519 -0.27 0 C-N-CA 121.035 1.157 . . . . 0.0 112.339 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 t -76.89 -11.45 59.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.998 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -50.54 -47.08 57.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.037 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -94.57 -50.79 5.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.9 t0 49.4 75.67 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 109.387 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.38 43.01 1.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.71 -45.15 70.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 111.029 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.66 163.96 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.268 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -145.38 155.37 43.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -177.407 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.7 p30 33.32 71.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 173.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.1 -47.77 1.0 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 164.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.82 150.28 42.95 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -174.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 t -122.7 144.07 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 t -83.55 141.64 31.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.371 -172.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.1 mtp -144.6 169.06 18.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 4.7 t60 -117.67 148.72 41.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.578 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -102.7 -41.35 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 178.618 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 23' ' ' ILE . 13.3 tt0 83.89 -48.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 171.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.0 t -61.22 -32.19 71.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.038 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.09 1.22 20.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t70 56.4 28.46 13.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -176.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.442 ' O ' HG13 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -105.89 158.5 16.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 -177.851 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.473 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 86.7 m-85 -114.65 111.0 20.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 176.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -95.48 -171.56 2.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -171.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.9 m -151.23 122.29 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 108.314 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -91.39 124.94 35.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -93.46 -172.68 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 108.301 -169.23 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.743 HG22 ' H ' ' A' ' 35' ' ' ILE . 2.1 p -139.59 -171.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -168.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.743 ' H ' HG22 ' A' ' 34' ' ' VAL . 3.5 mt -62.73 137.94 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -173.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.05 30.72 47.02 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 45' ' ' ARG . 6.7 m-85 -150.49 125.19 9.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 110.949 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 m -155.93 177.34 11.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 112.96 36.94 1.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 4.9 t70 76.19 -65.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 109.321 -177.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.618 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 2.4 mpp_? -83.02 -69.43 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -178.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.618 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 1.4 m 150.37 48.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 108.294 177.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 44' ' ' THR . 16.4 pm0 -98.75 -26.55 14.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 -174.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 27.7 m -86.84 98.07 11.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.462 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 1.4 ttm180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.3 m120 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -82.78 112.14 19.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -112.75 136.23 21.6 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.73 109.22 2.05 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 C-N-CA 121.031 1.154 . . . . 0.0 112.354 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.91 131.97 3.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.1 m -150.72 77.08 7.98 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.79 -176.3 1.18 Allowed 'Trans proline' 0 CA--C 1.52 -0.186 0 C-N-CA 120.967 1.111 . . . . 0.0 112.287 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.2 p -82.59 0.11 44.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.061 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.6 m -50.95 -55.7 15.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.074 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.455 ' CD2' ' N ' ' A' ' 11' ' ' ASP . 16.9 p90 -119.36 -44.42 2.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 111.03 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.455 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 33.6 t0 47.33 80.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.99 52.46 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 3.3 t80 -85.06 -1.87 57.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 111.02 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 m -115.65 119.74 37.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 7.7 mt -97.6 155.42 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 5.9 m-20 76.31 -55.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -176.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.21 -85.23 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.8 -164.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.6 t -142.94 141.63 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.3 t -79.42 136.97 37.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.278 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.444 ' O ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -156.21 130.87 8.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.169 . . . . 0.0 111.002 177.338 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -92.92 158.63 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.593 -175.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.781 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -121.88 159.92 24.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 175.588 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 25' ' ' SER . 6.6 mm-40 -120.19 173.48 7.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 1.059 . . . . 0.0 110.29 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 87.81 -37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mt -122.07 2.61 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t70 51.16 33.63 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' HG13 ' A' ' 23' ' ' ILE . 5.0 t -88.45 161.61 16.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -117.84 150.83 38.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.781 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.8 t -145.5 -176.07 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 -177.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.1 m -152.87 124.82 7.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 108.308 -175.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -68.52 118.02 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 172.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -103.41 -168.45 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 108.277 -170.114 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.8 m -143.43 173.11 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -171.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.1 mt -53.81 133.28 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 0.0 109.353 -174.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.83 20.26 79.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.492 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 74.8 m-85 -158.5 131.24 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 110.968 178.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -155.04 179.79 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.971 175.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.76 -169.97 14.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -76.01 -12.59 60.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.254 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.513 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 58.1 mtt85 -129.58 -68.47 0.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 176.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.2 m 160.51 46.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 108.324 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.24 -44.52 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -171.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -65.31 101.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.409 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HD2' HH11 ' A' ' 45' ' ' ARG . 14.2 mtt85 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 22.6 m120 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -85.09 131.99 34.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -129.71 137.59 31.25 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.75 111.68 2.67 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 120.996 1.13 . . . . 0.0 112.333 175.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.57 153.75 24.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.72 96.12 0.19 Allowed Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.82 -172.44 0.48 Allowed 'Trans proline' 0 CA--C 1.519 -0.26 0 C-N-CA 120.973 1.116 . . . . 0.0 112.282 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 p -66.7 -22.89 66.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 t -73.78 -9.93 59.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -128.83 84.18 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -79.19 66.31 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.373 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.32 -34.68 5.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.8 t80 42.55 35.02 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 0.752 . . . . 0.0 111.009 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.14 131.55 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.68 151.59 39.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 53.93 55.78 7.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.216 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.62 105.71 0.2 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 173.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.51 157.3 14.83 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.24 152.59 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.8 t -85.33 144.76 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.287 -172.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.699 ' O ' HG22 ' A' ' 30' ' ' THR . 37.1 mtp -149.7 119.6 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 172.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -81.82 162.41 22.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -172.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.723 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.63 151.83 30.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 174.519 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -118.92 9.97 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.8 m -79.82 -37.81 34.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.19 15.46 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 59.03 25.41 13.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -174.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.413 ' O ' HG13 ' A' ' 23' ' ' ILE . 2.2 t -89.85 168.31 12.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -116.63 144.78 43.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 111.049 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.723 ' HB ' HD11 ' A' ' 23' ' ' ILE . 9.9 t -134.4 -174.53 3.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.69 150.96 25.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -173.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 32' ' ' ASN . 5.9 p-10 -124.44 125.83 44.91 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 170.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.539 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 72.4 m -112.8 -111.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.378 1.049 . . . . 0.0 108.333 -164.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.7 -165.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -169.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.1 pt -67.43 123.28 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.73 9.39 45.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CZ ' ' HG2' ' A' ' 45' ' ' ARG . 4.3 m-85 -116.74 126.89 53.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 111.042 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -170.44 -159.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.0 -174.15 16.16 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -55.35 -35.58 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.277 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.539 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 87.8 mtm-85 -120.81 -81.49 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 172.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.9 m -154.19 26.12 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 173.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.0 tt0 -63.01 -43.24 99.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -170.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 m -60.89 81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 110.429 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.533 ' HG2' ' CZ ' ' A' ' 37' ' ' TYR . 1.4 ttp-105 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -175.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -84.55 111.83 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 110.054 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -119.93 138.49 26.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.87 116.55 4.52 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 120.985 1.124 . . . . 0.0 112.272 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.45 150.76 13.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 p 179.66 96.97 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.78 179.8 2.95 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 121.088 1.192 . . . . 0.0 112.258 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.9 p -76.66 -11.68 59.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -50.05 -42.84 50.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.96 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -94.3 -57.23 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.98 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 46.36 77.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.66 47.16 0.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -93.37 11.64 27.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.937 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -131.38 129.1 40.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 108.243 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt -123.56 175.73 6.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 50.04 46.34 24.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.12 53.02 49.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.12 158.79 14.66 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -106.19 159.79 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.36 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 143.22 29.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 -175.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.539 ' O ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -164.5 126.58 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 175.279 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -94.48 155.57 16.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.55 -176.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.644 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -115.96 150.11 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 175.216 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -124.9 23.3 7.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -176.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.4 t -98.2 -37.67 9.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -121.22 9.41 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.76 25.3 14.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -174.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.76 167.95 11.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.058 -178.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -115.19 151.12 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.644 ' HB ' HD11 ' A' ' 23' ' ' ILE . 10.1 t -145.72 -173.32 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.459 -178.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.6 m -156.55 131.13 8.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 -175.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -70.66 145.16 50.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 176.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.1 m -129.32 -166.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.359 -173.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.7 m -132.34 -177.98 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -172.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mt -59.25 136.61 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.457 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 59.39 37.7 92.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -176.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.457 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 29.2 m-85 -164.43 113.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 0.795 . . . . 0.0 110.966 175.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.8 p -165.32 -174.84 3.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.989 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.36 34.91 4.6 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 66.54 125.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 0.74 . . . . 0.0 109.334 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 69.44 5.33 5.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 m 60.49 89.44 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.409 1.068 . . . . 0.0 108.286 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -125.43 -58.85 1.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.282 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -57.82 97.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.442 178.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -91.84 138.24 31.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.935 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.401 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 58.4 t80 -139.43 130.41 14.69 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -177.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.78 100.58 0.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 121.031 1.154 . . . . 0.0 112.268 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.85 149.82 11.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.616 1.197 . . . . 0.0 111.036 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 p 173.11 116.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.77 -177.38 1.53 Allowed 'Trans proline' 0 CA--C 1.52 -0.187 0 C-N-CA 120.964 1.109 . . . . 0.0 112.269 -176.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m -62.52 -21.8 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.935 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -56.08 -33.02 64.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 109.978 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -111.47 46.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -90.62 43.03 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.4 40.57 0.05 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.499 1.125 . . . . 0.0 110.953 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 1.6 t80 -107.66 7.48 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 0.796 . . . . 0.0 111.056 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.84 111.74 10.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 108.278 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -100.94 169.04 9.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -176.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 47.43 61.33 2.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.2 175.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.8 58.34 12.85 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.522 1.139 . . . . 0.0 110.949 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.31 157.7 15.79 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.63 153.6 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.3 t -93.33 147.65 22.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.267 -173.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.7 tpt -159.56 144.77 15.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 175.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 22.1 t60 -100.56 154.98 18.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.59 -173.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.58 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -121.52 140.98 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 169.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -107.34 4.1 26.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 -175.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m -76.0 -37.07 58.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.891 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.22 14.14 4.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t70 56.67 27.79 13.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.301 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 t -84.99 166.09 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.017 -177.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -120.91 118.7 30.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.58 ' HB ' HD11 ' A' ' 23' ' ' ILE . 14.8 t -113.46 -172.95 2.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 110.45 -174.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.3 m -158.4 126.91 5.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 108.338 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -96.61 104.69 16.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 173.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 53.5 t -76.94 -102.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.05 . . . . 0.0 108.292 -166.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.693 HG22 ' H ' ' A' ' 35' ' ' ILE . 1.5 p -159.86 -167.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -168.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.693 ' H ' HG22 ' A' ' 34' ' ' VAL . 3.7 mt -56.02 138.55 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -175.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.04 46.29 5.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.14 . . . . 0.0 110.949 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.485 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 5.8 m-85 -162.64 128.65 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.969 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 p -171.85 -161.57 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.609 1.193 . . . . 0.0 109.995 175.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.66 -145.41 18.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.51 -24.74 39.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 0.0 109.214 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 13' ' ' TYR . 59.8 mtp85 -132.66 -81.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.2 35.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.296 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -104.43 -7.86 19.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -171.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.1 m -112.77 108.88 18.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.449 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 174.297 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.1 m120 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -151.02 124.12 8.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.971 177.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -138.02 133.55 17.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.74 103.83 1.06 Allowed 'Trans proline' 0 CA--C 1.519 -0.226 0 C-N-CA 121.016 1.144 . . . . 0.0 112.304 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.03 152.5 22.9 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.163 . . . . 0.0 110.97 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.1 m 177.97 97.78 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.76 -178.54 2.01 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 121.065 1.177 . . . . 0.0 112.211 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 t -81.86 -5.28 58.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -49.11 -43.72 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.957 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -92.19 -51.28 5.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.7 t0 53.2 79.97 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.18 41.94 2.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -74.73 -17.67 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 110.94 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.1 m -119.77 118.64 31.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 108.363 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.628 HD22 ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -113.24 177.26 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -177.86 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 51.05 63.5 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.55 30.5 59.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.38 141.81 15.83 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.4 t -102.94 148.5 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 0.746 . . . . 0.0 109.237 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.41 136.93 37.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.331 -174.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mmt -142.16 166.68 24.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.483 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 4.3 t-160 -119.94 152.32 37.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.6 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 mm -108.86 -31.64 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 25' ' ' SER . 4.1 tt0 64.62 162.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.3 p 83.71 -33.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -123.45 8.22 9.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 175.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.9 t0 50.04 32.35 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 -171.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.3 115.19 26.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 -173.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.483 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 97.7 m-85 -94.15 118.64 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 177.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -98.75 179.2 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.437 -174.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.3 m -142.76 104.11 4.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.265 -175.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -67.7 143.26 56.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 170.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.537 ' SG ' ' C ' ' A' ' 37' ' ' TYR . 1.8 t -118.77 -158.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 108.326 -169.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.663 HG22 ' H ' ' A' ' 35' ' ' ILE . 2.0 p -153.68 -177.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -172.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.663 ' H ' HG22 ' A' ' 34' ' ' VAL . 45.3 mt -68.6 129.06 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -177.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 83.99 17.15 65.87 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -178.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.537 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 98.9 m-85 -161.88 136.27 6.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 0.0 110.989 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.7 t -157.52 176.77 12.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 0.0 109.993 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.62 -166.25 15.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 0.0 111.057 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -95.18 -1.66 51.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -144.25 20.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.7 t 48.07 74.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 108.336 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.2 -49.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 -170.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -61.16 99.94 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 110.451 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.2 m120 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 p -80.11 141.84 35.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.05 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 62.8 t80 -138.6 134.18 17.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 111.024 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.79 101.38 0.77 Allowed 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 120.962 1.108 . . . . 0.0 112.311 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.94 148.1 8.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 111.075 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.7 p 177.87 122.56 0.19 Allowed Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.77 -178.06 1.81 Allowed 'Trans proline' 0 CA--C 1.52 -0.217 0 C-N-CA 121.016 1.144 . . . . 0.0 112.316 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -85.82 0.38 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.048 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.5 t -61.83 -38.08 86.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.07 . . . . 0.0 110.031 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -92.53 1.33 57.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 55.79 42.03 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 109.283 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.16 -33.36 4.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 64.8 12.34 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 111.013 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.2 114.98 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 108.346 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 15' ' ' LEU . 1.1 mm? -111.85 167.13 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 3.9 m120 78.36 -58.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.247 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.63 48.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.15 167.48 21.59 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.0 t -108.95 151.15 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 0.735 . . . . 0.0 109.328 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 t -92.18 147.29 23.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 108.302 -171.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.7 tpt -158.25 142.82 16.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 28' ' ' SER . 12.5 t60 -97.26 157.31 16.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.556 1.16 . . . . 0.0 109.59 -173.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.676 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.81 154.63 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 172.051 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 25' ' ' SER . 49.5 mt-10 -117.09 174.15 6.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.2 t 88.07 -33.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -178.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mt -126.83 7.72 6.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.285 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 44.27 47.14 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.421 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 17.8 t -96.78 163.53 12.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -178.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -125.06 137.54 54.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 177.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.676 ' HB ' HD11 ' A' ' 23' ' ' ILE . 15.0 t -136.91 -176.21 4.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 -173.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.1 m -156.84 137.17 12.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 -175.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -93.03 134.64 34.96 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.4 m -107.69 -167.32 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 108.344 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.07 -167.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -166.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -46.75 136.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.63 39.38 2.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.915 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.482 ' CE1' ' HG2' ' A' ' 45' ' ' ARG . 9.4 m-85 -149.64 123.05 9.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 111.031 175.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p -162.39 163.86 27.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 139.08 46.69 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' GLY . 5.2 p-10 36.94 46.14 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 0.818 . . . . 0.0 109.27 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 27.1 ttt180 163.06 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -175.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 3.5 m 84.15 61.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.306 175.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -105.19 -39.8 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.5 m -85.77 119.0 25.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 -171.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.482 ' HG2' ' CE1' ' A' ' 37' ' ' TYR . 47.7 mtt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 172.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 m -72.36 101.03 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -102.69 134.02 20.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.927 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.84 113.29 3.17 Favored 'Trans proline' 0 CA--C 1.52 -0.208 0 C-N-CA 121.019 1.146 . . . . 0.0 112.267 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.425 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -171.92 154.43 21.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.2 m 179.07 101.98 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.8 -172.26 0.46 Allowed 'Trans proline' 0 CA--C 1.519 -0.234 0 C-N-CA 121.034 1.156 . . . . 0.0 112.285 -176.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.1 m -67.04 -23.38 65.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.977 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -76.06 -5.89 48.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.413 ' CE2' ' CG ' ' A' ' 29' ' ' TYR . 20.5 m-85 -128.5 79.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -78.7 64.6 3.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.365 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.441 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 107.73 -43.84 1.61 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.417 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 16.7 t80 49.14 20.96 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 0.777 . . . . 0.0 111.005 -177.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.763 ' C ' HD13 ' A' ' 15' ' ' LEU . 58.0 m -132.96 133.37 43.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 108.226 -176.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.858 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -129.83 164.82 23.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 175.189 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 10.0 m120 81.06 -50.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.28 87.41 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.529 1.143 . . . . 0.0 111.058 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.16 164.86 33.55 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.3 t -107.96 148.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.724 . . . . 0.0 109.375 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.84 135.38 41.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 108.28 -176.177 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.452 ' O ' HG22 ' A' ' 30' ' ' THR . 6.9 tpt -154.04 128.47 9.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.951 177.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -92.0 160.17 15.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 109.636 -173.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.73 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.14 159.68 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 173.658 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 25' ' ' SER . 36.5 mt-10 -123.68 173.71 7.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.316 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 87.83 -35.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.982 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -123.26 5.49 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 175.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 46.24 45.88 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 t -103.74 165.47 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.413 ' CG ' ' CE2' ' A' ' 10' ' ' TYR . 74.0 m-85 -120.56 151.38 39.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.73 ' HB ' HD11 ' A' ' 23' ' ' ILE . 12.3 t -147.18 -171.29 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 110.375 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 9.9 m -147.87 133.24 18.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.299 -174.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -74.81 116.49 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 171.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.2 m -111.05 -166.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 108.336 -169.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' ILE . 17.0 m -141.74 -169.48 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 -168.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.448 ' C ' ' H ' ' A' ' 37' ' ' TYR . 13.3 mt -39.43 118.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -177.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.88 -37.05 1.46 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 171.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' H ' ' C ' ' A' ' 35' ' ' ILE . 35.6 m-85 -75.8 127.51 33.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 110.947 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.4 p -161.98 -168.82 2.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.978 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.26 -174.26 54.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -65.72 115.0 5.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.553 ' O ' HD22 ' A' ' 15' ' ' LEU . 7.2 mtp85 75.71 14.15 2.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 174.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.6 m 68.15 20.79 8.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 108.273 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -54.71 -40.94 69.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.3 m -66.22 89.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 -176.235 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -131.23 163.7 27.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.074 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -142.68 132.23 12.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 -174.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.8 100.51 0.71 Allowed 'Trans proline' 0 CA--C 1.521 -0.17 0 C-N-CA 121.041 1.161 . . . . 0.0 112.231 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.61 149.56 19.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.09 110.71 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -177.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 8' ' ' SER . 61.1 Cg_endo -68.87 -34.33 18.16 Favored 'Trans proline' 0 CA--C 1.52 -0.188 0 C-N-CA 120.937 1.091 . . . . 0.0 112.323 177.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 1.1 p 80.34 6.49 1.61 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 1.182 . . . . 0.0 110.062 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 t -87.53 0.43 55.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.408 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 33.7 m-85 -78.77 -89.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 1.3 m-20 163.72 88.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.03 50.76 7.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -49.38 -24.62 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 111.001 179.491 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -125.9 124.44 40.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 108.309 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.3 OUTLIER -129.85 152.69 49.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -174.323 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 9.7 m-20 81.79 -54.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 173.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.92 83.12 0.05 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.574 1.171 . . . . 0.0 111.02 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -157.75 149.89 20.57 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 177.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.05 155.05 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.35 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -90.27 129.27 36.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 108.257 -175.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.585 ' O ' HG22 ' A' ' 30' ' ' THR . 2.0 mmt -137.57 134.74 35.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.908 174.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CE1' ' CE1' ' A' ' 29' ' ' TYR . 13.8 t60 -92.91 158.05 16.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 -170.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.653 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.91 155.81 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 174.672 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -124.9 15.78 8.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 t -79.85 -30.98 40.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.11 19.53 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 t70 57.63 27.99 15.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -173.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 t -89.18 168.91 11.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.524 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 49.4 m-85 -120.02 152.14 37.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 175.4 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.653 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.6 t -143.34 -172.65 3.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.6 m -148.51 132.75 17.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 108.278 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -82.46 123.67 29.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 170.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -89.33 -163.53 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.322 -170.56 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.751 HG22 ' H ' ' A' ' 35' ' ' ILE . 2.3 p -147.26 -171.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -168.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.751 ' H ' HG22 ' A' ' 34' ' ' VAL . 4.7 mm -59.3 141.47 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -173.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.67 32.92 8.49 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.427 1.079 . . . . 0.0 110.992 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.44 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 5.3 m-85 -153.37 129.08 10.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 111.032 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.5 m -147.07 174.41 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.57 172.56 14.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.51 -16.4 60.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -126.51 -69.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 174.833 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.1 m 164.94 38.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 108.307 177.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -87.86 -26.71 22.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -172.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.0 m -76.71 78.44 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 177.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.0 p30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m -77.5 104.05 7.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -108.57 134.29 20.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.944 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.73 112.14 2.8 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 121.035 1.157 . . . . 0.0 112.317 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.85 149.56 18.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.65 96.7 0.24 Allowed Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.72 -179.33 2.39 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 C-N-CA 121.014 1.143 . . . . 0.0 112.303 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 t -69.7 -19.51 63.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 0.0 109.977 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -76.28 -14.09 60.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -114.57 50.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -177.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -94.46 47.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.74 45.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 30.1 t80 -110.4 17.33 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 111.039 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -140.01 116.65 10.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 108.287 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -94.75 172.96 7.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 54.24 35.79 23.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.23 34.53 74.23 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.76 158.67 48.85 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.4 t -95.27 149.65 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 t -90.92 140.08 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 -175.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.616 ' O ' HG22 ' A' ' 30' ' ' THR . 16.5 ttt -154.96 130.4 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.075 . . . . 0.0 111.006 174.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -89.43 159.44 17.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.56 -171.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.661 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.02 151.12 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 173.172 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -122.09 12.15 10.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.2 t -81.78 -32.03 31.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.2 19.57 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 52.62 39.39 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -174.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -107.14 170.68 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -118.27 149.27 41.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 175.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.661 ' HB ' HD11 ' A' ' 23' ' ' ILE . 12.1 t -139.34 -176.36 4.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.451 178.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 27.4 m -154.84 129.08 8.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.32 -173.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -76.46 115.19 15.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 172.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.9 m -106.41 -141.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 108.276 -169.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.26 -175.51 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.39 144.86 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -175.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.69 34.8 15.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -176.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.617 ' CZ ' ' HG3' ' A' ' 45' ' ' ARG . 1.1 m-85 -154.13 114.1 3.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 110.953 -178.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.0 p -163.64 -157.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.63 -89.77 0.79 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.434 1.084 . . . . 0.0 111.002 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -168.37 125.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.371 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 41' ' ' ARG . 9.7 ttm105 69.45 17.39 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -173.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 m 60.95 78.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.313 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 43' ' ' GLN . 6.1 tp60 -119.45 -52.77 2.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -170.05 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.0 m -64.88 83.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 176.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.617 ' HG3' ' CZ ' ' A' ' 37' ' ' TYR . 34.7 ttp-105 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 p -93.15 98.88 11.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -104.18 132.63 20.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.79 115.46 3.96 Favored 'Trans proline' 0 CA--C 1.519 -0.225 0 C-N-CA 121.0 1.133 . . . . 0.0 112.313 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 6' ' ' CYS . . . 179.23 156.0 16.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 5' ' ' GLY . 2.1 p 166.14 85.63 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 9' ' ' SER . 61.2 Cg_endo -68.77 158.52 57.49 Favored 'Trans proline' 0 CA--C 1.52 -0.204 0 C-N-CA 120.998 1.132 . . . . 0.0 112.374 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t 57.43 8.2 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.985 -172.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 7' ' ' PRO . 8.7 t 51.14 22.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 -175.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 9' ' ' SER . 2.8 m-85 33.04 47.07 0.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -174.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t0 53.52 69.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.345 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 49.48 42.24 34.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 175.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -48.42 -32.33 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 111.003 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 4.2 m -123.31 145.89 48.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.39 176.02 12.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -177.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 51.12 64.53 1.8 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.99 19.12 69.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.89 112.02 4.25 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.0 t -84.9 143.2 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.243 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 23.8 t -88.66 130.29 35.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 108.255 -174.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.498 ' O ' HG22 ' A' ' 30' ' ' THR . 87.1 mmm -143.68 123.11 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 176.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.439 ' ND1' ' O ' ' A' ' 28' ' ' SER . 74.8 t60 -88.42 146.74 25.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.67 -174.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.424 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -106.57 145.79 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.629 1.206 . . . . 0.0 109.277 174.071 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -119.37 14.75 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.316 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.453 ' O ' HD22 ' A' ' 26' ' ' LEU . 22.4 m -92.07 -33.25 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.969 176.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.453 HD22 ' O ' ' A' ' 25' ' ' SER . 1.6 mm? -122.39 9.28 9.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 56.32 26.56 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.629 1.206 . . . . 0.0 109.324 -167.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.439 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 8.6 p -90.1 167.39 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.02 -173.175 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -120.69 145.28 47.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 175.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 21' ' ' MET . 0.5 OUTLIER -135.77 173.79 11.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -174.289 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' N ' HG23 ' A' ' 30' ' ' THR . 96.8 m -143.65 110.26 5.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 108.359 -173.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -73.49 101.98 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.6 m -87.21 -166.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 108.379 -172.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.734 HG22 ' H ' ' A' ' 35' ' ' ILE . 2.1 p -142.32 -168.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 109.389 -169.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.734 ' H ' HG22 ' A' ' 34' ' ' VAL . 4.7 mm -55.63 137.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -174.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.74 32.77 8.57 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -147.89 123.06 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.6 p -160.77 -159.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.33 37.45 4.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 45.2 47.58 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 29.0 ttm105 173.14 -31.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 110.259 -176.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 3.2 m 84.46 18.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 175.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -85.45 -23.1 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.267 176.82 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 m -86.95 108.03 18.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 176.989 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ASN . . . . . 0.485 ' H3 ' ' HB2' ' A' ' 24' ' ' GLU . 3.1 p30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -73.31 106.15 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.016 177.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -112.48 136.93 21.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 111.024 -176.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.74 120.11 7.06 Favored 'Trans proline' 0 CA--C 1.52 -0.206 0 C-N-CA 120.974 1.116 . . . . 0.0 112.314 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.61 154.64 15.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.84 96.35 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.78 179.86 2.91 Favored 'Trans proline' 0 CA--C 1.52 -0.181 0 C-N-CA 120.977 1.118 . . . . 0.0 112.341 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.7 m -78.69 -9.92 59.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.049 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.2 t -50.26 -44.51 53.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.928 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -88.62 -55.76 3.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 46.29 70.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.55 45.81 0.31 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -84.23 -2.21 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 111.021 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.3 m -126.12 146.49 49.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 108.344 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.92 174.01 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 48.1 39.92 12.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.217 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.26 86.56 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 175.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.02 149.24 17.41 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.5 160.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.29 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.78 139.6 31.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.327 -173.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.7 ttt -154.39 137.7 15.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 176.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -93.58 160.13 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 -174.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.749 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.54 162.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 174.46 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 25' ' ' SER . 9.1 mm-40 -124.41 173.87 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 88.43 -34.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mt -125.93 6.87 7.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 175.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 45.63 44.02 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -177.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 t -101.63 163.43 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -118.49 154.8 31.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 176.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.749 ' HB ' HD11 ' A' ' 23' ' ' ILE . 14.2 t -147.81 -174.24 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.7 m -148.22 132.98 17.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.296 -175.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -83.66 120.69 26.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 174.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.18 -165.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.338 -173.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.485 ' O ' ' O ' ' A' ' 37' ' ' TYR . 4.2 m -134.76 171.26 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 -173.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.46 129.28 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 174.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . 96.87 -34.73 4.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.545 1.153 . . . . 0.0 111.099 -179.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.513 ' HA ' ' O ' ' A' ' 44' ' ' THR . 90.6 m-85 -119.32 141.88 48.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 0.79 . . . . 0.0 111.007 -175.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 p -164.81 173.79 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.96 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.61 165.96 11.88 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -50.44 -31.72 15.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.519 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 44.6 mtm-85 -113.11 -58.91 2.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.346 173.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 163.65 38.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 108.311 176.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -59.54 -60.55 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -170.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.1 m -46.69 144.51 2.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.16 . . . . 0.0 110.415 178.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.493 ' C ' ' O ' ' A' ' 36' ' ' GLY . 73.9 mtt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.4 m120 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -128.49 144.23 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.019 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -142.83 139.97 17.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -174.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.79 124.6 11.65 Favored 'Trans proline' 0 CA--C 1.521 -0.164 0 C-N-CA 120.97 1.113 . . . . 0.0 112.269 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.65 149.74 10.31 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.4 t -173.62 89.12 0.37 Allowed Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.77 -175.93 1.07 Allowed 'Trans proline' 0 CA--C 1.519 -0.249 0 C-N-CA 120.95 1.1 . . . . 0.0 112.328 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -88.37 5.34 42.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.6 m -55.26 -39.64 70.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -103.84 -146.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.051 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 169.98 94.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.31 47.43 4.93 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.566 1.167 . . . . 0.0 110.997 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -64.35 -23.7 67.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.616 0.833 . . . . 0.0 111.057 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.46 134.23 48.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.395 1.059 . . . . 0.0 108.279 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -122.42 165.57 16.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 6.6 m120 77.74 -57.43 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 176.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.33 78.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.45 -176.22 14.67 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.5 t -125.46 150.06 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 0.725 . . . . 0.0 109.294 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.422 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 28.2 t -94.25 138.84 31.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 -175.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -151.69 144.29 24.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.992 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -88.87 159.48 17.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.575 -170.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.848 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -122.61 154.44 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 173.688 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -119.08 9.59 11.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.4 t -79.43 -38.16 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.015 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.3 15.37 4.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t70 57.9 26.46 13.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.381 -174.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.434 ' O ' HG13 ' A' ' 23' ' ' ILE . 1.4 t -90.99 166.07 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.182 . . . . 0.0 110.004 -177.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -116.47 141.38 48.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 173.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.848 ' HB ' HD11 ' A' ' 23' ' ' ILE . 14.3 t -134.76 -175.03 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' CB ' ' HA ' ' A' ' 41' ' ' ARG . 1.5 m -153.1 134.64 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 108.334 -173.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -102.46 162.57 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.56 -152.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.268 -174.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 37' ' ' TYR . 10.2 m -134.13 171.65 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -171.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 mt -51.11 125.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.613 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 97.25 3.75 58.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 -173.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.613 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 92.2 m-85 -165.94 134.74 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 111.001 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 p -170.07 -160.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 169.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.39 -143.38 16.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.08 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -74.32 -15.95 60.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -153.75 -84.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.079 . . . . 0.0 110.278 175.401 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.8 m -155.56 27.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 108.317 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -77.39 -43.6 32.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 -173.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.5 m -71.92 80.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 10.2 ptm180 -75.03 67.91 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -134.65 170.04 16.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.61 -90.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 50' ' ' TRP . 20.6 mmt85 53.61 90.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 172.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -52.96 102.56 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 108.062 175.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.468 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -126.42 27.44 6.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 107.986 -175.247 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -159.08 159.68 34.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.31 159.9 41.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.6 m120 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -157.01 160.06 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -139.75 141.39 27.65 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -175.491 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.84 110.9 2.47 Favored 'Trans proline' 0 CA--C 1.519 -0.232 0 C-N-CA 121.0 1.133 . . . . 0.0 112.262 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.3 146.63 12.2 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -174.49 87.68 0.33 Allowed Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 61.3 Cg_endo -68.75 -178.64 2.04 Favored 'Trans proline' 0 CA--C 1.52 -0.222 0 C-N-CA 121.015 1.143 . . . . 0.0 112.342 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.4 p -71.11 -16.7 62.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.948 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.1 m -47.75 -48.06 30.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.004 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -98.26 -48.36 5.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t0 50.46 74.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.87 43.45 1.41 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -54.54 -33.57 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.992 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.3 145.03 35.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 108.311 177.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.56 167.08 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 56.88 45.01 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 173.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.74 -12.72 68.91 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 169.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.38 151.48 17.92 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.4 t -111.85 142.32 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -93.62 137.57 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 108.289 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 33.1 mtp -134.01 168.91 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -124.62 157.38 35.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.615 -176.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.481 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -130.87 152.31 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 173.565 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -116.07 9.08 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.5 p -77.39 -33.8 55.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.63 15.71 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t70 55.57 30.32 15.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -91.81 166.24 12.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.932 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 67.3 m-85 -117.53 127.18 53.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.587 1.179 . . . . 0.0 111.015 175.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.481 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.1 t -113.0 -169.09 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 -174.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.0 139.96 15.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 108.33 -175.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -111.89 127.32 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 168.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 1.4 t -94.93 -159.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.328 -167.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.96 -171.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -169.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.8 mt -67.85 136.85 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -176.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.18 31.18 26.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.518 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 4.2 m-85 -146.88 124.79 11.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 0.718 . . . . 0.0 111.007 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 t -161.45 -169.98 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 108.53 36.41 2.26 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 4.3 t0 76.8 -63.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 109.359 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.532 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 55.8 mtm180 -85.38 -69.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 158.65 50.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 108.348 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.4 -51.07 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.233 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.0 m -68.38 100.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.475 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 1.5 ttp85 -81.9 93.58 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.247 178.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.57 -158.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -112.16 -72.64 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.0 ttm-85 61.92 47.13 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.318 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.426 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 0.0 OUTLIER 58.88 162.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 108.015 -177.543 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 49' ' ' TRP . 16.2 m95 -157.23 179.65 9.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 107.991 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.58 151.9 50.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -172.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 pp -142.64 158.21 43.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.231 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.0 m120 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -54.14 131.39 41.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -124.11 137.11 28.43 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.74 104.72 1.19 Allowed 'Trans proline' 0 CA--C 1.519 -0.265 0 C-N-CA 120.955 1.103 . . . . 0.0 112.365 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.28 148.85 16.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.421 1.075 . . . . 0.0 110.982 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -175.92 101.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -178.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.79 -179.86 2.74 Favored 'Trans proline' 0 CA--C 1.52 -0.182 0 C-N-CA 120.953 1.102 . . . . 0.0 112.307 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.2 p -78.0 -11.5 59.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.022 -177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.4 t -55.25 -51.64 65.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.004 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -91.53 -9.76 43.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 42.39 60.73 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.27 -40.73 2.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 59.29 14.49 3.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.968 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -129.44 146.42 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 108.322 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 1.8 pp -134.24 178.92 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 15.8 m-20 66.4 -71.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 175.73 75.57 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.63 167.14 25.14 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.5 t -112.41 153.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.0 t -90.99 142.62 27.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 108.322 -175.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.6 mtp -148.12 130.04 15.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.473 ' CE1' ' CE1' ' A' ' 29' ' ' TYR . 7.3 t60 -81.98 153.01 26.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.741 HD11 ' HB ' ' A' ' 30' ' ' THR . 1.0 OUTLIER -108.23 -26.78 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.389 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 25' ' ' SER . 8.0 pt-20 46.59 -176.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 -178.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.2 p 82.0 -38.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 mt -130.52 13.62 5.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 175.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t0 58.17 37.09 26.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 t -100.3 146.35 27.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.473 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 70.1 m-85 -118.83 149.77 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.741 ' HB ' HD11 ' A' ' 23' ' ' ILE . 14.4 t -141.74 -173.12 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.1 m -147.46 138.23 23.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.337 -177.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -109.73 111.98 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 170.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.481 ' C ' HG22 ' A' ' 34' ' ' VAL . 11.5 t -99.7 -79.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.295 -168.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.481 HG22 ' C ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -155.11 -165.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -175.115 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mt -71.27 121.32 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -176.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.0 11.19 50.43 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.461 ' CE1' ' CB ' ' A' ' 45' ' ' ARG . 2.0 m-85 -113.77 113.25 24.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.982 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -169.61 -159.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.069 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 108.82 60.17 0.53 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 111.055 177.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 19.2 t0 80.66 -53.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 0.796 . . . . 0.0 109.221 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 42' ' ' CYS . 16.6 mtt85 -119.02 -72.82 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 41' ' ' ARG . 43.9 t 175.09 37.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 108.325 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -83.36 -34.01 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -84.46 86.27 7.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 2.5 ptp85 -87.44 114.62 24.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 175.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -58.08 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -175.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 79.3 mt -134.52 -49.17 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 -177.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 10.9 ttt180 82.47 51.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -70.82 -15.32 62.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 107.992 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -81.53 74.5 8.52 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -140.53 -59.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 mt -84.06 151.62 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.4 m120 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -131.65 141.39 49.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -136.88 135.45 20.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.89 102.45 0.89 Allowed 'Trans proline' 0 CA--C 1.519 -0.227 0 C-N-CA 120.977 1.118 . . . . 0.0 112.291 173.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.46 151.18 22.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.41 89.56 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.76 -174.58 0.75 Allowed 'Trans proline' 0 CA--C 1.52 -0.215 0 C-N-CA 121.04 1.16 . . . . 0.0 112.293 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -56.19 -26.39 50.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.3 t -61.78 -39.58 92.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -108.39 45.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 111.058 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -93.46 39.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.94 39.67 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -96.25 -15.88 21.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 111.026 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -103.55 130.31 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 0.0 108.323 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.37 -136.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -87.59 49.93 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 -171.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.74 85.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.409 1.068 . . . . 0.0 110.994 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.53 155.98 17.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.21 142.26 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.36 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.4 t -88.65 136.32 33.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.323 -174.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.7 ptm -149.82 171.65 16.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 111.025 173.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 28' ' ' SER . 7.5 t-80 -118.09 147.88 42.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.604 -172.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.473 HD13 ' N ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -115.41 128.99 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 169.41 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -93.18 -10.21 36.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.297 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.0 p -69.26 -39.7 78.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 mt -119.92 7.23 10.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.5 t70 52.42 32.65 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.602 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -95.08 165.23 12.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -175.611 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -122.15 118.48 28.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -121.03 -174.4 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 -173.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.23 117.91 7.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 108.312 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -63.43 115.72 4.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -89.81 -167.45 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.335 -173.425 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.4 m -138.39 -170.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 -169.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.6 mt -61.77 138.67 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 -172.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.57 28.75 10.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.433 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.2 m-85 -144.43 123.26 12.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.979 -177.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -156.16 -169.78 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 107.12 32.02 3.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 16.9 t0 79.81 -61.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 81.5 mtm-85 -88.04 -69.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.232 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 156.43 43.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.286 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.7 pm0 -94.13 -24.12 17.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.268 -173.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -92.7 96.99 10.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -76.29 85.47 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.517 ' O ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -63.92 -36.48 84.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.202 -177.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.517 HD22 ' O ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -140.31 -168.46 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -177.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -144.8 56.95 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.207 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.466 ' C ' ' CG ' ' A' ' 50' ' ' TRP . 57.1 t-105 -81.31 68.5 7.65 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.466 ' CG ' ' C ' ' A' ' 49' ' ' TRP . 1.7 m95 -156.93 -56.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 107.997 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.61 133.32 41.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -157.9 -57.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.2 m120 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -56.08 140.0 45.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.429 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 64.6 t80 -141.31 138.49 17.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 111.018 -176.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.83 103.74 1.06 Allowed 'Trans proline' 0 CA--C 1.521 -0.151 0 C-N-CA 121.011 1.141 . . . . 0.0 112.211 175.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.09 152.63 24.25 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.67 93.04 0.27 Allowed Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.473 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 61.5 Cg_endo -68.77 -179.11 2.27 Favored 'Trans proline' 0 CA--C 1.519 -0.27 0 C-N-CA 121.035 1.157 . . . . 0.0 112.339 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 t -76.89 -11.45 59.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.998 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -50.54 -47.08 57.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.037 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -94.57 -50.79 5.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.9 t0 49.4 75.67 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 109.387 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.38 43.01 1.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.71 -45.15 70.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 111.029 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.66 163.96 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.268 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -145.38 155.37 43.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -177.407 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.7 p30 33.32 71.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 173.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.1 -47.77 1.0 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 164.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.82 150.28 42.95 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -174.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 t -122.7 144.07 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 t -83.55 141.64 31.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.371 -172.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.1 mtp -144.6 169.06 18.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 4.7 t60 -117.67 148.72 41.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.578 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -102.7 -41.35 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 178.618 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 23' ' ' ILE . 13.3 tt0 83.89 -48.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 171.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.0 t -61.22 -32.19 71.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.038 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.09 1.22 20.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t70 56.4 28.46 13.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -176.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.442 ' O ' HG13 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -105.89 158.5 16.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 -177.851 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.473 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 86.7 m-85 -114.65 111.0 20.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 176.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -95.48 -171.56 2.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -171.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.9 m -151.23 122.29 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 108.314 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -91.39 124.94 35.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -93.46 -172.68 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 108.301 -169.23 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.743 HG22 ' H ' ' A' ' 35' ' ' ILE . 2.1 p -139.59 -171.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -168.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.743 ' H ' HG22 ' A' ' 34' ' ' VAL . 3.5 mt -62.73 137.94 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -173.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.05 30.72 47.02 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 45' ' ' ARG . 6.7 m-85 -150.49 125.19 9.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 110.949 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 m -155.93 177.34 11.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 112.96 36.94 1.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 4.9 t70 76.19 -65.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 109.321 -177.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.618 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 2.4 mpp_? -83.02 -69.43 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -178.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.618 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 1.4 m 150.37 48.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 108.294 177.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 44' ' ' THR . 16.4 pm0 -98.75 -26.55 14.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 -174.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 27.7 m -86.84 98.07 11.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.462 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 1.4 ttm180 -79.48 98.24 6.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' ARG . 5.9 m-20 -96.98 -178.48 4.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 177.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 47.39 -93.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.1 ttp-105 70.1 32.35 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.319 -178.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.59 16.65 19.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.022 -178.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 7.8 p-90 -134.12 20.41 3.75 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -172.0 153.25 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.258 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -88.91 -45.73 9.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.3 m120 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -82.78 112.14 19.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -112.75 136.23 21.6 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.73 109.22 2.05 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 C-N-CA 121.031 1.154 . . . . 0.0 112.354 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.91 131.97 3.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.1 m -150.72 77.08 7.98 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.79 -176.3 1.18 Allowed 'Trans proline' 0 CA--C 1.52 -0.186 0 C-N-CA 120.967 1.111 . . . . 0.0 112.287 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.2 p -82.59 0.11 44.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.061 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.6 m -50.95 -55.7 15.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.074 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.455 ' CD2' ' N ' ' A' ' 11' ' ' ASP . 16.9 p90 -119.36 -44.42 2.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 111.03 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.455 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 33.6 t0 47.33 80.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.99 52.46 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 3.3 t80 -85.06 -1.87 57.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 111.02 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 m -115.65 119.74 37.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 7.7 mt -97.6 155.42 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 5.9 m-20 76.31 -55.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -176.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.21 -85.23 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.8 -164.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.6 t -142.94 141.63 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.3 t -79.42 136.97 37.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.278 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.444 ' O ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -156.21 130.87 8.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.169 . . . . 0.0 111.002 177.338 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -92.92 158.63 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.593 -175.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.781 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -121.88 159.92 24.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 175.588 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 25' ' ' SER . 6.6 mm-40 -120.19 173.48 7.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 1.059 . . . . 0.0 110.29 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 87.81 -37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mt -122.07 2.61 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t70 51.16 33.63 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' HG13 ' A' ' 23' ' ' ILE . 5.0 t -88.45 161.61 16.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -117.84 150.83 38.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.781 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.8 t -145.5 -176.07 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 -177.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.1 m -152.87 124.82 7.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 108.308 -175.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -68.52 118.02 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 172.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -103.41 -168.45 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 108.277 -170.114 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.8 m -143.43 173.11 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -171.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.417 ' HA ' ' CZ2' ' A' ' 50' ' ' TRP . 7.1 mt -53.81 133.28 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 0.0 109.353 -174.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.83 20.26 79.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.492 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 74.8 m-85 -158.5 131.24 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 110.968 178.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -155.04 179.79 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.971 175.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.76 -169.97 14.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -76.01 -12.59 60.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.254 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.513 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 58.1 mtt85 -129.58 -68.47 0.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 176.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.2 m 160.51 46.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 108.324 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.24 -44.52 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -171.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -65.31 101.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.409 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HD2' HH11 ' A' ' 45' ' ' ARG . 14.2 mtt85 -79.43 98.32 6.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 176.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -34.99 78.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -175.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.2 mt 49.56 68.75 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -175.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.501 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 0.0 OUTLIER 173.47 115.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -174.84 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -62.32 129.21 39.68 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.501 ' CD1' ' O ' ' A' ' 48' ' ' ARG . 1.2 m0 -89.13 -15.1 34.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -122.5 -176.77 3.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.217 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.5 mt -117.75 -65.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.8 mtm105 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.661 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 22.6 m120 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -85.09 131.99 34.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -129.71 137.59 31.25 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.75 111.68 2.67 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 120.996 1.13 . . . . 0.0 112.333 175.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.57 153.75 24.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.72 96.12 0.19 Allowed Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.82 -172.44 0.48 Allowed 'Trans proline' 0 CA--C 1.519 -0.26 0 C-N-CA 120.973 1.116 . . . . 0.0 112.282 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 p -66.7 -22.89 66.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 t -73.78 -9.93 59.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -128.83 84.18 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -79.19 66.31 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.373 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.32 -34.68 5.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.8 t80 42.55 35.02 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 0.752 . . . . 0.0 111.009 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.14 131.55 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.68 151.59 39.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 53.93 55.78 7.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.216 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.62 105.71 0.2 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 173.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.51 157.3 14.83 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.24 152.59 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.8 t -85.33 144.76 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.287 -172.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.699 ' O ' HG22 ' A' ' 30' ' ' THR . 37.1 mtp -149.7 119.6 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 172.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -81.82 162.41 22.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -172.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.723 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.63 151.83 30.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 174.519 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -118.92 9.97 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.8 m -79.82 -37.81 34.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.19 15.46 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 59.03 25.41 13.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -174.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.413 ' O ' HG13 ' A' ' 23' ' ' ILE . 2.2 t -89.85 168.31 12.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -116.63 144.78 43.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 111.049 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.723 ' HB ' HD11 ' A' ' 23' ' ' ILE . 9.9 t -134.4 -174.53 3.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.69 150.96 25.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -173.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 32' ' ' ASN . 5.9 p-10 -124.44 125.83 44.91 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 170.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.539 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 72.4 m -112.8 -111.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.378 1.049 . . . . 0.0 108.333 -164.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.7 -165.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -169.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.1 pt -67.43 123.28 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.73 9.39 45.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CZ ' ' HG2' ' A' ' 45' ' ' ARG . 4.3 m-85 -116.74 126.89 53.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 111.042 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -170.44 -159.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.0 -174.15 16.16 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -55.35 -35.58 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.277 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.539 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 87.8 mtm-85 -120.81 -81.49 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 172.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.9 m -154.19 26.12 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 173.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.0 tt0 -63.01 -43.24 99.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -170.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 m -60.89 81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 110.429 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.533 ' HG2' ' CZ ' ' A' ' 37' ' ' TYR . 1.4 ttp-105 -80.27 141.07 35.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -175.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -63.64 -161.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 47' ' ' LEU . 5.4 mp -109.46 35.82 3.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 tpt180 61.49 53.79 3.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -61.25 -24.41 66.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.539 1.15 . . . . 0.0 107.992 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -59.5 -42.35 91.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -178.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -93.93 165.79 12.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.325 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -47.24 71.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -84.55 111.83 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 110.054 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -119.93 138.49 26.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.87 116.55 4.52 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 120.985 1.124 . . . . 0.0 112.272 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.45 150.76 13.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 p 179.66 96.97 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.78 179.8 2.95 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 121.088 1.192 . . . . 0.0 112.258 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.9 p -76.66 -11.68 59.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -50.05 -42.84 50.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.96 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -94.3 -57.23 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.98 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 46.36 77.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.66 47.16 0.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -93.37 11.64 27.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.937 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -131.38 129.1 40.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 108.243 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt -123.56 175.73 6.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 50.04 46.34 24.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.12 53.02 49.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.12 158.79 14.66 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -106.19 159.79 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.36 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 143.22 29.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 -175.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.539 ' O ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -164.5 126.58 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 175.279 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -94.48 155.57 16.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.55 -176.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.644 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -115.96 150.11 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 175.216 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -124.9 23.3 7.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -176.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.4 t -98.2 -37.67 9.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -121.22 9.41 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.76 25.3 14.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -174.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.76 167.95 11.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.058 -178.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -115.19 151.12 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.644 ' HB ' HD11 ' A' ' 23' ' ' ILE . 10.1 t -145.72 -173.32 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.459 -178.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.6 m -156.55 131.13 8.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 -175.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -70.66 145.16 50.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 176.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.1 m -129.32 -166.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.359 -173.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.7 m -132.34 -177.98 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -172.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.567 HG22 ' CE2' ' A' ' 50' ' ' TRP . 2.6 mt -59.25 136.61 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.457 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 59.39 37.7 92.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -176.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.457 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 29.2 m-85 -164.43 113.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 0.795 . . . . 0.0 110.966 175.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.8 p -165.32 -174.84 3.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.989 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.36 34.91 4.6 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 66.54 125.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 0.74 . . . . 0.0 109.334 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 69.44 5.33 5.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 m 60.49 89.44 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.409 1.068 . . . . 0.0 108.286 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -125.43 -58.85 1.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.282 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -57.82 97.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.442 178.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 111.49 17.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t0 70.76 -174.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 174.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 47' ' ' LEU . 6.5 mp 59.16 60.33 2.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.601 1.188 . . . . 0.0 109.29 -175.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -167.87 70.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -177.757 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.423 ' O ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER 64.89 132.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 175.398 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.567 ' CE2' HG22 ' A' ' 35' ' ' ILE . 39.5 m95 -160.86 -71.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.028 177.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -127.68 156.14 42.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 tt -150.78 132.37 14.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.335 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -91.84 138.24 31.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.935 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.401 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 58.4 t80 -139.43 130.41 14.69 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -177.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.78 100.58 0.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 121.031 1.154 . . . . 0.0 112.268 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.85 149.82 11.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.616 1.197 . . . . 0.0 111.036 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 p 173.11 116.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.77 -177.38 1.53 Allowed 'Trans proline' 0 CA--C 1.52 -0.187 0 C-N-CA 120.964 1.109 . . . . 0.0 112.269 -176.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m -62.52 -21.8 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.935 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -56.08 -33.02 64.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 109.978 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -111.47 46.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -90.62 43.03 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.4 40.57 0.05 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.499 1.125 . . . . 0.0 110.953 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 1.6 t80 -107.66 7.48 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 0.796 . . . . 0.0 111.056 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.84 111.74 10.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 108.278 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -100.94 169.04 9.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -176.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 47.43 61.33 2.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.2 175.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.8 58.34 12.85 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.522 1.139 . . . . 0.0 110.949 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.31 157.7 15.79 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.63 153.6 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.3 t -93.33 147.65 22.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.267 -173.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.7 tpt -159.56 144.77 15.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 175.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 22.1 t60 -100.56 154.98 18.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.59 -173.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.58 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -121.52 140.98 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 169.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -107.34 4.1 26.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 -175.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m -76.0 -37.07 58.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.891 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.22 14.14 4.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t70 56.67 27.79 13.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.301 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 t -84.99 166.09 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.017 -177.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -120.91 118.7 30.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.58 ' HB ' HD11 ' A' ' 23' ' ' ILE . 14.8 t -113.46 -172.95 2.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 110.45 -174.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.3 m -158.4 126.91 5.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 108.338 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -96.61 104.69 16.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 173.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 53.5 t -76.94 -102.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.05 . . . . 0.0 108.292 -166.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.693 HG22 ' H ' ' A' ' 35' ' ' ILE . 1.5 p -159.86 -167.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -168.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.693 ' H ' HG22 ' A' ' 34' ' ' VAL . 3.7 mt -56.02 138.55 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -175.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.04 46.29 5.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.14 . . . . 0.0 110.949 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.485 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 5.8 m-85 -162.64 128.65 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.969 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 p -171.85 -161.57 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.609 1.193 . . . . 0.0 109.995 175.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.66 -145.41 18.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.51 -24.74 39.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 0.0 109.214 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 13' ' ' TYR . 59.8 mtp85 -132.66 -81.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.2 35.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.296 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -104.43 -7.86 19.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -171.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.1 m -112.77 108.88 18.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.449 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -75.16 86.41 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 174.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.76 -52.19 2.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -173.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.6 mt -58.24 171.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.9 ttm105 -174.31 62.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -61.93 -36.27 80.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.429 ' CE2' HG22 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -82.77 70.1 9.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 108.048 179.687 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -95.06 -8.76 35.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.243 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -146.66 165.98 27.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.24 179.34 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.65 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.1 m120 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -151.02 124.12 8.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.971 177.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -138.02 133.55 17.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.74 103.83 1.06 Allowed 'Trans proline' 0 CA--C 1.519 -0.226 0 C-N-CA 121.016 1.144 . . . . 0.0 112.304 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.03 152.5 22.9 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.163 . . . . 0.0 110.97 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.1 m 177.97 97.78 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.76 -178.54 2.01 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 121.065 1.177 . . . . 0.0 112.211 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 t -81.86 -5.28 58.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -49.11 -43.72 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.957 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -92.19 -51.28 5.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.7 t0 53.2 79.97 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.18 41.94 2.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -74.73 -17.67 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 110.94 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.1 m -119.77 118.64 31.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 108.363 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.628 HD22 ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -113.24 177.26 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -177.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 51.05 63.5 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.55 30.5 59.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.38 141.81 15.83 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.4 t -102.94 148.5 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 0.746 . . . . 0.0 109.237 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.41 136.93 37.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.331 -174.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mmt -142.16 166.68 24.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.483 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 4.3 t-160 -119.94 152.32 37.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.6 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 mm -108.86 -31.64 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 25' ' ' SER . 4.1 tt0 64.62 162.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.3 p 83.71 -33.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -123.45 8.22 9.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 175.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.9 t0 50.04 32.35 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 -171.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.3 115.19 26.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 -173.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.483 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 97.7 m-85 -94.15 118.64 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 177.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -98.75 179.2 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.437 -174.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.3 m -142.76 104.11 4.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.265 -175.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -67.7 143.26 56.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 170.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.537 ' SG ' ' C ' ' A' ' 37' ' ' TYR . 1.8 t -118.77 -158.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 108.326 -169.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.663 HG22 ' H ' ' A' ' 35' ' ' ILE . 2.0 p -153.68 -177.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -172.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.663 ' H ' HG22 ' A' ' 34' ' ' VAL . 45.3 mt -68.6 129.06 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -177.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 83.99 17.15 65.87 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -178.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 98.9 m-85 -161.88 136.27 6.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 0.0 110.989 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.7 t -157.52 176.77 12.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 0.0 109.993 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.62 -166.25 15.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 0.0 111.057 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -95.18 -1.66 51.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -144.25 20.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.7 t 48.07 74.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 108.336 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.2 -49.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 -170.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -61.16 99.94 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 110.451 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -74.16 114.36 12.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.258 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.09 -163.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 175.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.0 mt -142.51 -62.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 -175.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -129.46 58.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 -170.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -72.72 -16.59 61.66 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.462 ' CZ2' HG22 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -81.1 -36.34 30.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.156 . . . . 0.0 108.0 -173.202 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -83.09 -44.83 14.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.408 1.068 . . . . 0.0 110.247 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp -144.84 124.07 12.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.177 . . . . 0.0 109.336 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 -179.495 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.2 m120 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 p -80.11 141.84 35.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.05 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 62.8 t80 -138.6 134.18 17.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 111.024 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.79 101.38 0.77 Allowed 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 120.962 1.108 . . . . 0.0 112.311 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.94 148.1 8.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 111.075 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.7 p 177.87 122.56 0.19 Allowed Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.77 -178.06 1.81 Allowed 'Trans proline' 0 CA--C 1.52 -0.217 0 C-N-CA 121.016 1.144 . . . . 0.0 112.316 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -85.82 0.38 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.048 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.5 t -61.83 -38.08 86.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.07 . . . . 0.0 110.031 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -92.53 1.33 57.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 55.79 42.03 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 109.283 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.16 -33.36 4.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 64.8 12.34 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 111.013 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.2 114.98 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 108.346 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 15' ' ' LEU . 1.1 mm? -111.85 167.13 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 3.9 m120 78.36 -58.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.247 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.63 48.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.15 167.48 21.59 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.0 t -108.95 151.15 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 0.735 . . . . 0.0 109.328 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 t -92.18 147.29 23.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 108.302 -171.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.7 tpt -158.25 142.82 16.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 28' ' ' SER . 12.5 t60 -97.26 157.31 16.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.556 1.16 . . . . 0.0 109.59 -173.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.676 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.81 154.63 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 172.051 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 25' ' ' SER . 49.5 mt-10 -117.09 174.15 6.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.2 t 88.07 -33.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -178.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mt -126.83 7.72 6.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.285 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 44.27 47.14 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.421 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 17.8 t -96.78 163.53 12.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -178.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -125.06 137.54 54.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 177.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.676 ' HB ' HD11 ' A' ' 23' ' ' ILE . 15.0 t -136.91 -176.21 4.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 -173.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.1 m -156.84 137.17 12.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 -175.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -93.03 134.64 34.96 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.4 m -107.69 -167.32 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 108.344 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.07 -167.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -166.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.589 ' CG2' ' CZ2' ' A' ' 50' ' ' TRP . 0.3 OUTLIER -46.75 136.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.24 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.63 39.38 2.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.915 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.482 ' CE1' ' HG2' ' A' ' 45' ' ' ARG . 9.4 m-85 -149.64 123.05 9.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 111.031 175.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p -162.39 163.86 27.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 139.08 46.69 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' GLY . 5.2 p-10 36.94 46.14 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 0.818 . . . . 0.0 109.27 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 27.1 ttt180 163.06 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -175.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 3.5 m 84.15 61.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.306 175.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -105.19 -39.8 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.5 m -85.77 119.0 25.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 -171.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.482 ' HG2' ' CE1' ' A' ' 37' ' ' TYR . 47.7 mtt180 -83.48 88.52 7.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 172.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.474 ' HB3' HD22 ' A' ' 47' ' ' LEU . 1.1 m-20 -60.65 -71.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 109.335 -174.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 46' ' ' ASP . 0.9 OUTLIER -106.84 173.08 6.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -178.848 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -176.04 64.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.436 ' CD1' ' HE3' ' A' ' 50' ' ' TRP . 2.1 p90 -91.96 25.2 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 108.031 173.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.589 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 24.7 p90 -128.43 23.0 5.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 108.044 175.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -158.23 -55.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.2 mt -82.1 -49.37 10.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.7 mtm-85 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 m -72.36 101.03 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -102.69 134.02 20.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.927 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.84 113.29 3.17 Favored 'Trans proline' 0 CA--C 1.52 -0.208 0 C-N-CA 121.019 1.146 . . . . 0.0 112.267 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.425 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -171.92 154.43 21.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.2 m 179.07 101.98 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.8 -172.26 0.46 Allowed 'Trans proline' 0 CA--C 1.519 -0.234 0 C-N-CA 121.034 1.156 . . . . 0.0 112.285 -176.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.1 m -67.04 -23.38 65.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.977 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -76.06 -5.89 48.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' CE2' ' CG ' ' A' ' 29' ' ' TYR . 20.5 m-85 -128.5 79.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -78.7 64.6 3.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.365 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.441 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 107.73 -43.84 1.61 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.417 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 16.7 t80 49.14 20.96 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 0.777 . . . . 0.0 111.005 -177.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.763 ' C ' HD13 ' A' ' 15' ' ' LEU . 58.0 m -132.96 133.37 43.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 108.226 -176.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.858 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -129.83 164.82 23.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 175.189 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 10.0 m120 81.06 -50.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.28 87.41 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.529 1.143 . . . . 0.0 111.058 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.16 164.86 33.55 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.3 t -107.96 148.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.724 . . . . 0.0 109.375 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.84 135.38 41.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 108.28 -176.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.452 ' O ' HG22 ' A' ' 30' ' ' THR . 6.9 tpt -154.04 128.47 9.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.951 177.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -92.0 160.17 15.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 109.636 -173.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.73 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.14 159.68 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 173.658 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 25' ' ' SER . 36.5 mt-10 -123.68 173.71 7.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.316 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 87.83 -35.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.982 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -123.26 5.49 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 175.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 46.24 45.88 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 t -103.74 165.47 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.413 ' CG ' ' CE2' ' A' ' 10' ' ' TYR . 74.0 m-85 -120.56 151.38 39.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.73 ' HB ' HD11 ' A' ' 23' ' ' ILE . 12.3 t -147.18 -171.29 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 110.375 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 9.9 m -147.87 133.24 18.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.299 -174.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -74.81 116.49 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 171.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.2 m -111.05 -166.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 108.336 -169.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' ILE . 17.0 m -141.74 -169.48 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 -168.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.524 HG23 ' CD2' ' A' ' 49' ' ' TRP . 13.3 mt -39.43 118.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -177.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.88 -37.05 1.46 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 171.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.482 ' CE2' ' OD1' ' A' ' 46' ' ' ASP . 35.6 m-85 -75.8 127.51 33.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 110.947 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.4 p -161.98 -168.82 2.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.978 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.26 -174.26 54.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -65.72 115.0 5.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.553 ' O ' HD22 ' A' ' 15' ' ' LEU . 7.2 mtp85 75.71 14.15 2.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 174.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.6 m 68.15 20.79 8.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 108.273 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -54.71 -40.94 69.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.3 m -66.22 89.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 46' ' ' ASP . 4.6 ttm105 -66.46 152.1 45.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 -176.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.482 ' OD1' ' CE2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -38.97 -59.8 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 178.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 12.8 mt 65.97 43.04 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -170.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 31.6 ttt180 79.7 71.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 176.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.524 ' CD2' HG23 ' A' ' 35' ' ' ILE . 4.0 t90 -86.16 -5.7 59.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 0.0 108.067 173.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.446 ' CD1' ' N ' ' A' ' 50' ' ' TRP . 0.1 OUTLIER -108.3 79.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 -166.076 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.23 -57.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.285 -177.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.7 mt -88.59 -36.32 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.725 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -131.23 163.7 27.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.074 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -142.68 132.23 12.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 -174.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.8 100.51 0.71 Allowed 'Trans proline' 0 CA--C 1.521 -0.17 0 C-N-CA 121.041 1.161 . . . . 0.0 112.231 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.61 149.56 19.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.09 110.71 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -177.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 8' ' ' SER . 61.1 Cg_endo -68.87 -34.33 18.16 Favored 'Trans proline' 0 CA--C 1.52 -0.188 0 C-N-CA 120.937 1.091 . . . . 0.0 112.323 177.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 1.1 p 80.34 6.49 1.61 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 1.182 . . . . 0.0 110.062 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 t -87.53 0.43 55.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.408 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 33.7 m-85 -78.77 -89.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 1.3 m-20 163.72 88.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.03 50.76 7.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -49.38 -24.62 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 111.001 179.491 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -125.9 124.44 40.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 108.309 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.3 OUTLIER -129.85 152.69 49.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -174.323 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 9.7 m-20 81.79 -54.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 173.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.92 83.12 0.05 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.574 1.171 . . . . 0.0 111.02 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -157.75 149.89 20.57 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 177.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.05 155.05 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.35 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -90.27 129.27 36.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 108.257 -175.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.585 ' O ' HG22 ' A' ' 30' ' ' THR . 2.0 mmt -137.57 134.74 35.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.908 174.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CE1' ' CE1' ' A' ' 29' ' ' TYR . 13.8 t60 -92.91 158.05 16.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 -170.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.653 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.91 155.81 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 174.672 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -124.9 15.78 8.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 t -79.85 -30.98 40.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.11 19.53 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 t70 57.63 27.99 15.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -173.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 t -89.18 168.91 11.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.524 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 49.4 m-85 -120.02 152.14 37.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 175.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.653 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.6 t -143.34 -172.65 3.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.6 m -148.51 132.75 17.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 108.278 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -82.46 123.67 29.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 170.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -89.33 -163.53 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.322 -170.56 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.751 HG22 ' H ' ' A' ' 35' ' ' ILE . 2.3 p -147.26 -171.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -168.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.751 ' H ' HG22 ' A' ' 34' ' ' VAL . 4.7 mm -59.3 141.47 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -173.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.67 32.92 8.49 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.427 1.079 . . . . 0.0 110.992 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.44 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 5.3 m-85 -153.37 129.08 10.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 111.032 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.5 m -147.07 174.41 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.57 172.56 14.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.51 -16.4 60.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -126.51 -69.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 174.833 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.1 m 164.94 38.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 108.307 177.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -87.86 -26.71 22.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -172.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.0 m -76.71 78.44 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -74.33 118.96 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 177.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -69.48 -154.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 47' ' ' LEU . 2.2 mm? -108.61 -57.37 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -175.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 55.4 ttt-85 -169.66 75.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.244 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -85.35 64.26 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -143.94 30.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -159.92 163.13 34.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 -176.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -146.62 154.73 41.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.1 mtm-85 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 110.325 -179.478 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.0 p30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m -77.5 104.05 7.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -108.57 134.29 20.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.944 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.73 112.14 2.8 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 121.035 1.157 . . . . 0.0 112.317 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.85 149.56 18.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.65 96.7 0.24 Allowed Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.72 -179.33 2.39 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 C-N-CA 121.014 1.143 . . . . 0.0 112.303 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 t -69.7 -19.51 63.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 0.0 109.977 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -76.28 -14.09 60.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -114.57 50.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -177.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -94.46 47.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.74 45.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 30.1 t80 -110.4 17.33 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 111.039 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -140.01 116.65 10.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 108.287 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -94.75 172.96 7.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 54.24 35.79 23.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.23 34.53 74.23 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.76 158.67 48.85 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.4 t -95.27 149.65 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 t -90.92 140.08 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 -175.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.616 ' O ' HG22 ' A' ' 30' ' ' THR . 16.5 ttt -154.96 130.4 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.075 . . . . 0.0 111.006 174.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -89.43 159.44 17.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.56 -171.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.661 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.02 151.12 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 173.172 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -122.09 12.15 10.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.2 t -81.78 -32.03 31.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.2 19.57 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 52.62 39.39 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -174.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -107.14 170.68 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -118.27 149.27 41.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 175.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.661 ' HB ' HD11 ' A' ' 23' ' ' ILE . 12.1 t -139.34 -176.36 4.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.451 178.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 27.4 m -154.84 129.08 8.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.32 -173.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -76.46 115.19 15.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 172.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.9 m -106.41 -141.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 108.276 -169.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.26 -175.51 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.39 144.86 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -175.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.69 34.8 15.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -176.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.617 ' CZ ' ' HG3' ' A' ' 45' ' ' ARG . 1.1 m-85 -154.13 114.1 3.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 110.953 -178.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.0 p -163.64 -157.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.63 -89.77 0.79 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.434 1.084 . . . . 0.0 111.002 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -168.37 125.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.371 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 41' ' ' ARG . 9.7 ttm105 69.45 17.39 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -173.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 m 60.95 78.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.313 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 43' ' ' GLN . 6.1 tp60 -119.45 -52.77 2.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -170.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.0 m -64.88 83.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 176.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.617 ' HG3' ' CZ ' ' A' ' 37' ' ' TYR . 34.7 ttp-105 -83.21 99.92 10.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.49 -175.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 47' ' ' LEU . 4.9 mt -75.53 -11.81 60.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -176.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 62.82 62.99 1.01 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 172.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -49.32 143.67 6.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 108.042 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -142.45 172.4 12.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 107.973 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -144.99 153.63 41.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.354 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.61 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -157.7 164.65 36.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 -179.852 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 p -93.15 98.88 11.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -104.18 132.63 20.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.79 115.46 3.96 Favored 'Trans proline' 0 CA--C 1.519 -0.225 0 C-N-CA 121.0 1.133 . . . . 0.0 112.313 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 6' ' ' CYS . . . 179.23 156.0 16.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 5' ' ' GLY . 2.1 p 166.14 85.63 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 9' ' ' SER . 61.2 Cg_endo -68.77 158.52 57.49 Favored 'Trans proline' 0 CA--C 1.52 -0.204 0 C-N-CA 120.998 1.132 . . . . 0.0 112.374 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t 57.43 8.2 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.985 -172.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 7' ' ' PRO . 8.7 t 51.14 22.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 -175.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 9' ' ' SER . 2.8 m-85 33.04 47.07 0.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -174.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t0 53.52 69.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.345 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 49.48 42.24 34.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 175.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -48.42 -32.33 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 111.003 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 4.2 m -123.31 145.89 48.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.39 176.02 12.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -177.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 51.12 64.53 1.8 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.99 19.12 69.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.89 112.02 4.25 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.0 t -84.9 143.2 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.243 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 23.8 t -88.66 130.29 35.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 108.255 -174.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.498 ' O ' HG22 ' A' ' 30' ' ' THR . 87.1 mmm -143.68 123.11 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 176.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.439 ' ND1' ' O ' ' A' ' 28' ' ' SER . 74.8 t60 -88.42 146.74 25.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.67 -174.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.424 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -106.57 145.79 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.629 1.206 . . . . 0.0 109.277 174.071 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -119.37 14.75 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.316 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.453 ' O ' HD22 ' A' ' 26' ' ' LEU . 22.4 m -92.07 -33.25 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.969 176.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.453 HD22 ' O ' ' A' ' 25' ' ' SER . 1.6 mm? -122.39 9.28 9.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 56.32 26.56 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.629 1.206 . . . . 0.0 109.324 -167.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.439 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 8.6 p -90.1 167.39 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.02 -173.175 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -120.69 145.28 47.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 175.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 21' ' ' MET . 0.5 OUTLIER -135.77 173.79 11.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -174.289 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' N ' HG23 ' A' ' 30' ' ' THR . 96.8 m -143.65 110.26 5.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 108.359 -173.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -73.49 101.98 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.6 m -87.21 -166.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 108.379 -172.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.734 HG22 ' H ' ' A' ' 35' ' ' ILE . 2.1 p -142.32 -168.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 109.389 -169.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.734 ' H ' HG22 ' A' ' 34' ' ' VAL . 4.7 mm -55.63 137.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -174.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.74 32.77 8.57 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -147.89 123.06 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.6 p -160.77 -159.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.33 37.45 4.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 45.2 47.58 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 29.0 ttm105 173.14 -31.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 110.259 -176.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 3.2 m 84.46 18.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 175.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -85.45 -23.1 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.267 176.82 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 m -86.95 108.03 18.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -76.58 95.78 4.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -38.59 74.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -178.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.0 71.2 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 177.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -153.88 29.9 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.291 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -130.17 15.17 5.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 108.0 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.43 ' CD1' ' N ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -145.48 -59.34 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -177.402 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -85.11 153.57 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.33 35.99 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.866 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.485 ' H3 ' ' HB2' ' A' ' 24' ' ' GLU . 3.1 p30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -73.31 106.15 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.016 177.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -112.48 136.93 21.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 111.024 -176.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.74 120.11 7.06 Favored 'Trans proline' 0 CA--C 1.52 -0.206 0 C-N-CA 120.974 1.116 . . . . 0.0 112.314 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.61 154.64 15.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.84 96.35 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.78 179.86 2.91 Favored 'Trans proline' 0 CA--C 1.52 -0.181 0 C-N-CA 120.977 1.118 . . . . 0.0 112.341 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.7 m -78.69 -9.92 59.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.049 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.2 t -50.26 -44.51 53.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.928 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -88.62 -55.76 3.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 46.29 70.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.55 45.81 0.31 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -84.23 -2.21 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 111.021 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.3 m -126.12 146.49 49.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 108.344 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.92 174.01 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 48.1 39.92 12.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.217 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.26 86.56 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 175.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.02 149.24 17.41 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.5 160.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.29 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.78 139.6 31.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.327 -173.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.7 ttt -154.39 137.7 15.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 176.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -93.58 160.13 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 -174.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.749 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.54 162.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 174.46 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 25' ' ' SER . 9.1 mm-40 -124.41 173.87 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 88.43 -34.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mt -125.93 6.87 7.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 175.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 45.63 44.02 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -177.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 t -101.63 163.43 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -118.49 154.8 31.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 176.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.749 ' HB ' HD11 ' A' ' 23' ' ' ILE . 14.2 t -147.81 -174.24 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.7 m -148.22 132.98 17.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.296 -175.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -83.66 120.69 26.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 174.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.18 -165.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.338 -173.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.485 ' O ' ' O ' ' A' ' 37' ' ' TYR . 4.2 m -134.76 171.26 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 -173.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.46 129.28 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 174.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . 96.87 -34.73 4.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.545 1.153 . . . . 0.0 111.099 -179.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.513 ' HA ' ' O ' ' A' ' 44' ' ' THR . 90.6 m-85 -119.32 141.88 48.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 0.79 . . . . 0.0 111.007 -175.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 p -164.81 173.79 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.96 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.61 165.96 11.88 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -50.44 -31.72 15.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.519 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 44.6 mtm-85 -113.11 -58.91 2.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.346 173.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 163.65 38.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 108.311 176.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -59.54 -60.55 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -170.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.1 m -46.69 144.51 2.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.16 . . . . 0.0 110.415 178.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.493 ' C ' ' O ' ' A' ' 36' ' ' GLY . 73.9 mtt180 -128.51 153.69 46.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -174.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.434 ' HA ' ' CA ' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -39.38 -30.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 177.729 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.464 ' N ' ' C ' ' A' ' 45' ' ' ARG . 4.0 mm? -72.45 64.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 173.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 166.45 82.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 110.333 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.61 -177.51 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.028 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.617 ' N ' ' CD1' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -150.39 -63.75 0.2 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 0.0 108.039 -174.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.06 -80.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.662 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -161.44 165.62 28.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 178.242 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.555 ' N ' HD22 ' A' ' 52' ' ' LEU . 16.4 tpt85 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.4 m120 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -128.49 144.23 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.019 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -142.83 139.97 17.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -174.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.79 124.6 11.65 Favored 'Trans proline' 0 CA--C 1.521 -0.164 0 C-N-CA 120.97 1.113 . . . . 0.0 112.269 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.65 149.74 10.31 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.4 t -173.62 89.12 0.37 Allowed Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.77 -175.93 1.07 Allowed 'Trans proline' 0 CA--C 1.519 -0.249 0 C-N-CA 120.95 1.1 . . . . 0.0 112.328 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -88.37 5.34 42.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.6 m -55.26 -39.64 70.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -103.84 -146.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.051 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 169.98 94.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.31 47.43 4.93 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.566 1.167 . . . . 0.0 110.997 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -64.35 -23.7 67.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.616 0.833 . . . . 0.0 111.057 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.46 134.23 48.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.395 1.059 . . . . 0.0 108.279 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -122.42 165.57 16.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 6.6 m120 77.74 -57.43 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 176.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.33 78.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.45 -176.22 14.67 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.5 t -125.46 150.06 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 0.725 . . . . 0.0 109.294 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.422 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 28.2 t -94.25 138.84 31.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 -175.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -151.69 144.29 24.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.992 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 28' ' ' SER . 11.7 t-80 -88.87 159.48 17.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.575 -170.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.848 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -122.61 154.44 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 173.688 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -119.08 9.59 11.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.4 t -79.43 -38.16 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.015 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.3 15.37 4.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t70 57.9 26.46 13.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.381 -174.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.55 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.4 t -90.99 166.07 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.182 . . . . 0.0 110.004 -177.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.445 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 70.8 m-85 -116.47 141.38 48.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 173.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.848 ' HB ' HD11 ' A' ' 23' ' ' ILE . 14.3 t -134.76 -175.03 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' CB ' ' HA ' ' A' ' 41' ' ' ARG . 1.5 m -153.1 134.64 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 108.334 -173.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -102.46 162.57 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.56 -152.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.268 -174.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 37' ' ' TYR . 10.2 m -134.13 171.65 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -171.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 mt -51.11 125.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.613 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 97.25 3.75 58.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 -173.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.613 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 92.2 m-85 -165.94 134.74 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 111.001 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 p -170.07 -160.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 169.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.39 -143.38 16.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.08 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -74.32 -15.95 60.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -153.75 -84.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.079 . . . . 0.0 110.278 175.401 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.8 m -155.56 27.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 108.317 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -77.39 -43.6 32.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 -173.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.5 m -71.92 80.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 10.2 ptm180 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.6 m120 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -157.01 160.06 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -139.75 141.39 27.65 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -175.491 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.84 110.9 2.47 Favored 'Trans proline' 0 CA--C 1.519 -0.232 0 C-N-CA 121.0 1.133 . . . . 0.0 112.262 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.3 146.63 12.2 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -174.49 87.68 0.33 Allowed Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 61.3 Cg_endo -68.75 -178.64 2.04 Favored 'Trans proline' 0 CA--C 1.52 -0.222 0 C-N-CA 121.015 1.143 . . . . 0.0 112.342 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.4 p -71.11 -16.7 62.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.948 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.1 m -47.75 -48.06 30.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.004 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -98.26 -48.36 5.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t0 50.46 74.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.87 43.45 1.41 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -54.54 -33.57 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.992 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.3 145.03 35.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 108.311 177.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.56 167.08 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 56.88 45.01 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 173.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.74 -12.72 68.91 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 169.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.38 151.48 17.92 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.4 t -111.85 142.32 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -93.62 137.57 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 108.289 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 33.1 mtp -134.01 168.91 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 28' ' ' SER . 6.6 t-160 -124.62 157.38 35.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.615 -176.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.481 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -130.87 152.31 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 173.565 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -116.07 9.08 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.5 p -77.39 -33.8 55.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.63 15.71 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t70 55.57 30.32 15.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.556 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.4 t -91.81 166.24 12.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.932 -175.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 67.3 m-85 -117.53 127.18 53.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.587 1.179 . . . . 0.0 111.015 175.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.481 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.1 t -113.0 -169.09 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 -174.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.0 139.96 15.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 108.33 -175.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -111.89 127.32 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 168.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 1.4 t -94.93 -159.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.328 -167.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.96 -171.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -169.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.8 mt -67.85 136.85 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -176.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.18 31.18 26.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.518 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 4.2 m-85 -146.88 124.79 11.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 0.718 . . . . 0.0 111.007 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 t -161.45 -169.98 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 108.53 36.41 2.26 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 4.3 t0 76.8 -63.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 109.359 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.532 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 55.8 mtm180 -85.38 -69.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 158.65 50.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 108.348 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.4 -51.07 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.233 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.0 m -68.38 100.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.475 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 1.5 ttp85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.247 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.0 m120 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -54.14 131.39 41.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -124.11 137.11 28.43 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.74 104.72 1.19 Allowed 'Trans proline' 0 CA--C 1.519 -0.265 0 C-N-CA 120.955 1.103 . . . . 0.0 112.365 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.28 148.85 16.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.421 1.075 . . . . 0.0 110.982 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -175.92 101.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -178.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.79 -179.86 2.74 Favored 'Trans proline' 0 CA--C 1.52 -0.182 0 C-N-CA 120.953 1.102 . . . . 0.0 112.307 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.2 p -78.0 -11.5 59.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.022 -177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.4 t -55.25 -51.64 65.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.004 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -91.53 -9.76 43.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 42.39 60.73 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.27 -40.73 2.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 59.29 14.49 3.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.968 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -129.44 146.42 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 108.322 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 1.8 pp -134.24 178.92 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 15.8 m-20 66.4 -71.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 175.73 75.57 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.63 167.14 25.14 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.5 t -112.41 153.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.0 t -90.99 142.62 27.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 108.322 -175.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.6 mtp -148.12 130.04 15.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 28' ' ' SER . 5.7 t-160 -81.98 153.01 26.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.741 HD11 ' HB ' ' A' ' 30' ' ' THR . 1.0 OUTLIER -108.23 -26.78 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.389 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 25' ' ' SER . 8.0 pt-20 46.59 -176.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 -178.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.2 p 82.0 -38.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 mt -130.52 13.62 5.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 175.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t0 58.17 37.09 26.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 35.4 t -100.3 146.35 27.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.411 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 70.1 m-85 -118.83 149.77 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.741 ' HB ' HD11 ' A' ' 23' ' ' ILE . 14.4 t -141.74 -173.12 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.1 m -147.46 138.23 23.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.337 -177.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -109.73 111.98 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 170.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.481 ' C ' HG22 ' A' ' 34' ' ' VAL . 11.5 t -99.7 -79.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.295 -168.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.481 HG22 ' C ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -155.11 -165.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -175.115 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mt -71.27 121.32 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -176.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.0 11.19 50.43 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.461 ' CE1' ' CB ' ' A' ' 45' ' ' ARG . 2.0 m-85 -113.77 113.25 24.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.982 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -169.61 -159.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.069 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 108.82 60.17 0.53 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 111.055 177.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 19.2 t0 80.66 -53.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 0.796 . . . . 0.0 109.221 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 42' ' ' CYS . 16.6 mtt85 -119.02 -72.82 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 41' ' ' ARG . 43.9 t 175.09 37.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 108.325 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -83.36 -34.01 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -84.46 86.27 7.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 2.5 ptp85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 175.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.4 m120 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -131.65 141.39 49.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -136.88 135.45 20.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.89 102.45 0.89 Allowed 'Trans proline' 0 CA--C 1.519 -0.227 0 C-N-CA 120.977 1.118 . . . . 0.0 112.291 173.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.46 151.18 22.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.41 89.56 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.76 -174.58 0.75 Allowed 'Trans proline' 0 CA--C 1.52 -0.215 0 C-N-CA 121.04 1.16 . . . . 0.0 112.293 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -56.19 -26.39 50.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.3 t -61.78 -39.58 92.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -108.39 45.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 111.058 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -93.46 39.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.94 39.67 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -96.25 -15.88 21.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 111.026 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -103.55 130.31 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 0.0 108.323 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.37 -136.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -87.59 49.93 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 -171.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.74 85.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.409 1.068 . . . . 0.0 110.994 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.53 155.98 17.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.21 142.26 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.36 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.4 t -88.65 136.32 33.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.323 -174.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.7 ptm -149.82 171.65 16.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 111.025 173.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 28' ' ' SER . 7.5 t-80 -118.09 147.88 42.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.604 -172.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.473 HD13 ' N ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -115.41 128.99 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 169.41 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -93.18 -10.21 36.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.297 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.0 p -69.26 -39.7 78.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 mt -119.92 7.23 10.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.5 t70 52.42 32.65 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.602 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -95.08 165.23 12.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -175.611 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -122.15 118.48 28.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -121.03 -174.4 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 -173.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.23 117.91 7.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 108.312 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -63.43 115.72 4.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -89.81 -167.45 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.335 -173.425 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.4 m -138.39 -170.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 -169.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.6 mt -61.77 138.67 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 -172.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.57 28.75 10.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.433 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.2 m-85 -144.43 123.26 12.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.979 -177.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -156.16 -169.78 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 107.12 32.02 3.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 16.9 t0 79.81 -61.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 81.5 mtm-85 -88.04 -69.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.232 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 156.43 43.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.286 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.7 pm0 -94.13 -24.12 17.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.268 -173.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -92.7 96.99 10.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 176.34 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -56.08 140.0 45.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.429 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 64.6 t80 -141.31 138.49 17.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 111.018 -176.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.83 103.74 1.06 Allowed 'Trans proline' 0 CA--C 1.521 -0.151 0 C-N-CA 121.011 1.141 . . . . 0.0 112.211 175.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.09 152.63 24.25 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.67 93.04 0.27 Allowed Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.473 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 61.5 Cg_endo -68.77 -179.11 2.27 Favored 'Trans proline' 0 CA--C 1.519 -0.27 0 C-N-CA 121.035 1.157 . . . . 0.0 112.339 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 t -76.89 -11.45 59.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.998 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -50.54 -47.08 57.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.037 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -94.57 -50.79 5.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.9 t0 49.4 75.67 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 109.387 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.38 43.01 1.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.71 -45.15 70.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 111.029 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.66 163.96 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.268 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -145.38 155.37 43.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -177.407 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.7 p30 33.32 71.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 173.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.1 -47.77 1.0 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 164.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.82 150.28 42.95 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -174.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 t -122.7 144.07 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 t -83.55 141.64 31.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.371 -172.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.1 mtp -144.6 169.06 18.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' A' ' 28' ' ' SER . 1.9 t-160 -117.67 148.72 41.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.578 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -102.7 -41.35 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 178.618 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 23' ' ' ILE . 13.3 tt0 83.89 -48.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 171.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.0 t -61.22 -32.19 71.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.038 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.09 1.22 20.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t70 56.4 28.46 13.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -176.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.555 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -105.89 158.5 16.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 -177.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.473 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 86.7 m-85 -114.65 111.0 20.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 176.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -95.48 -171.56 2.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -171.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.9 m -151.23 122.29 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 108.314 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -91.39 124.94 35.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -93.46 -172.68 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 108.301 -169.23 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.743 HG22 ' H ' ' A' ' 35' ' ' ILE . 2.1 p -139.59 -171.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -168.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.743 ' H ' HG22 ' A' ' 34' ' ' VAL . 3.5 mt -62.73 137.94 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -173.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.05 30.72 47.02 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 45' ' ' ARG . 6.7 m-85 -150.49 125.19 9.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 110.949 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 m -155.93 177.34 11.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 112.96 36.94 1.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 4.9 t70 76.19 -65.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 109.321 -177.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.618 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 2.4 mpp_? -83.02 -69.43 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -178.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.618 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 1.4 m 150.37 48.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 108.294 177.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 44' ' ' THR . 16.4 pm0 -98.75 -26.55 14.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 -174.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 27.7 m -86.84 98.07 11.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.462 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 1.4 ttm180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.3 m120 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -82.78 112.14 19.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -112.75 136.23 21.6 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.73 109.22 2.05 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 C-N-CA 121.031 1.154 . . . . 0.0 112.354 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.91 131.97 3.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.1 m -150.72 77.08 7.98 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.79 -176.3 1.18 Allowed 'Trans proline' 0 CA--C 1.52 -0.186 0 C-N-CA 120.967 1.111 . . . . 0.0 112.287 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.2 p -82.59 0.11 44.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.061 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.6 m -50.95 -55.7 15.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.074 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.455 ' CD2' ' N ' ' A' ' 11' ' ' ASP . 16.9 p90 -119.36 -44.42 2.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 111.03 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.455 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 33.6 t0 47.33 80.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.99 52.46 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 3.3 t80 -85.06 -1.87 57.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 111.02 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 m -115.65 119.74 37.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 7.7 mt -97.6 155.42 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 5.9 m-20 76.31 -55.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -176.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.21 -85.23 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.8 -164.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.6 t -142.94 141.63 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.3 t -79.42 136.97 37.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.278 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.444 ' O ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -156.21 130.87 8.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.169 . . . . 0.0 111.002 177.338 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 28' ' ' SER . 14.0 t-80 -92.92 158.63 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.593 -175.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.781 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -121.88 159.92 24.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 175.588 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 25' ' ' SER . 6.6 mm-40 -120.19 173.48 7.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 1.059 . . . . 0.0 110.29 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 87.81 -37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mt -122.07 2.61 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t70 51.16 33.63 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.578 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 5.0 t -88.45 161.61 16.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.483 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 71.0 m-85 -117.84 150.83 38.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.781 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.8 t -145.5 -176.07 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 -177.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.1 m -152.87 124.82 7.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 108.308 -175.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -68.52 118.02 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 172.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -103.41 -168.45 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 108.277 -170.114 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.8 m -143.43 173.11 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -171.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.1 mt -53.81 133.28 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 0.0 109.353 -174.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.83 20.26 79.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.492 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 74.8 m-85 -158.5 131.24 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 110.968 178.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -155.04 179.79 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.971 175.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.76 -169.97 14.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -76.01 -12.59 60.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.254 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.513 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 58.1 mtt85 -129.58 -68.47 0.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 176.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.2 m 160.51 46.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 108.324 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.24 -44.52 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -171.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -65.31 101.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.409 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HD2' HH11 ' A' ' 45' ' ' ARG . 14.2 mtt85 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 22.6 m120 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -85.09 131.99 34.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -129.71 137.59 31.25 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.75 111.68 2.67 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 120.996 1.13 . . . . 0.0 112.333 175.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.57 153.75 24.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.72 96.12 0.19 Allowed Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.82 -172.44 0.48 Allowed 'Trans proline' 0 CA--C 1.519 -0.26 0 C-N-CA 120.973 1.116 . . . . 0.0 112.282 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 p -66.7 -22.89 66.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 t -73.78 -9.93 59.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -128.83 84.18 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -79.19 66.31 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.373 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.32 -34.68 5.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.8 t80 42.55 35.02 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 0.752 . . . . 0.0 111.009 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.14 131.55 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.68 151.59 39.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 53.93 55.78 7.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.216 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.62 105.71 0.2 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 173.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.51 157.3 14.83 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.24 152.59 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.8 t -85.33 144.76 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.287 -172.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.699 ' O ' HG22 ' A' ' 30' ' ' THR . 37.1 mtp -149.7 119.6 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 172.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 28' ' ' SER . 17.8 t-80 -81.82 162.41 22.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -172.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.723 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.63 151.83 30.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 174.519 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -118.92 9.97 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.8 m -79.82 -37.81 34.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.19 15.46 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 59.03 25.41 13.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -174.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.562 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.2 t -89.85 168.31 12.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.412 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 78.7 m-85 -116.63 144.78 43.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 111.049 175.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.723 ' HB ' HD11 ' A' ' 23' ' ' ILE . 9.9 t -134.4 -174.53 3.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.69 150.96 25.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -173.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 32' ' ' ASN . 5.9 p-10 -124.44 125.83 44.91 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 170.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.539 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 72.4 m -112.8 -111.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.378 1.049 . . . . 0.0 108.333 -164.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.7 -165.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -169.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.1 pt -67.43 123.28 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.73 9.39 45.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CZ ' ' HG2' ' A' ' 45' ' ' ARG . 4.3 m-85 -116.74 126.89 53.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 111.042 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -170.44 -159.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.0 -174.15 16.16 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -55.35 -35.58 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.277 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.539 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 87.8 mtm-85 -120.81 -81.49 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 172.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.9 m -154.19 26.12 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 173.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.0 tt0 -63.01 -43.24 99.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -170.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 m -60.89 81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 110.429 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.533 ' HG2' ' CZ ' ' A' ' 37' ' ' TYR . 1.4 ttp-105 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -175.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -84.55 111.83 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 110.054 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -119.93 138.49 26.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.87 116.55 4.52 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 120.985 1.124 . . . . 0.0 112.272 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.45 150.76 13.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 p 179.66 96.97 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.78 179.8 2.95 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 121.088 1.192 . . . . 0.0 112.258 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.9 p -76.66 -11.68 59.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -50.05 -42.84 50.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.96 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -94.3 -57.23 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.98 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 46.36 77.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.66 47.16 0.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -93.37 11.64 27.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.937 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -131.38 129.1 40.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 108.243 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt -123.56 175.73 6.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 50.04 46.34 24.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.12 53.02 49.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.12 158.79 14.66 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -106.19 159.79 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.36 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 143.22 29.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 -175.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.539 ' O ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -164.5 126.58 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 175.279 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 28' ' ' SER . 21.4 t-80 -94.48 155.57 16.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.55 -176.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.644 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -115.96 150.11 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 175.216 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -124.9 23.3 7.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -176.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.4 t -98.2 -37.67 9.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -121.22 9.41 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.76 25.3 14.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -174.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -92.76 167.95 11.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.058 -178.341 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.431 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 75.5 m-85 -115.19 151.12 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 175.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.644 ' HB ' HD11 ' A' ' 23' ' ' ILE . 10.1 t -145.72 -173.32 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.459 -178.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.6 m -156.55 131.13 8.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 -175.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -70.66 145.16 50.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 176.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.1 m -129.32 -166.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.359 -173.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.7 m -132.34 -177.98 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -172.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mt -59.25 136.61 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.457 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 59.39 37.7 92.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -176.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.457 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 29.2 m-85 -164.43 113.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 0.795 . . . . 0.0 110.966 175.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.8 p -165.32 -174.84 3.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.989 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.36 34.91 4.6 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 66.54 125.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 0.74 . . . . 0.0 109.334 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 69.44 5.33 5.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 m 60.49 89.44 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.409 1.068 . . . . 0.0 108.286 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -125.43 -58.85 1.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.282 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -57.82 97.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.442 178.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -91.84 138.24 31.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.935 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.401 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 58.4 t80 -139.43 130.41 14.69 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -177.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.78 100.58 0.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 121.031 1.154 . . . . 0.0 112.268 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.85 149.82 11.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.616 1.197 . . . . 0.0 111.036 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 p 173.11 116.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.77 -177.38 1.53 Allowed 'Trans proline' 0 CA--C 1.52 -0.187 0 C-N-CA 120.964 1.109 . . . . 0.0 112.269 -176.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m -62.52 -21.8 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.935 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -56.08 -33.02 64.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 109.978 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -111.47 46.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -90.62 43.03 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.4 40.57 0.05 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.499 1.125 . . . . 0.0 110.953 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 1.6 t80 -107.66 7.48 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 0.796 . . . . 0.0 111.056 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.84 111.74 10.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 108.278 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -100.94 169.04 9.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -176.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 47.43 61.33 2.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.2 175.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.8 58.34 12.85 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.522 1.139 . . . . 0.0 110.949 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.31 157.7 15.79 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.63 153.6 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.3 t -93.33 147.65 22.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.267 -173.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.7 tpt -159.56 144.77 15.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 175.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 28' ' ' SER . 6.5 t-80 -100.56 154.98 18.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.59 -173.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.58 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -121.52 140.98 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 169.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -107.34 4.1 26.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 -175.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m -76.0 -37.07 58.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.891 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.22 14.14 4.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t70 56.67 27.79 13.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.301 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.596 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 7.2 t -84.99 166.09 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.017 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.41 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 53.6 m-85 -120.91 118.7 30.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 176.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.58 ' HB ' HD11 ' A' ' 23' ' ' ILE . 14.8 t -113.46 -172.95 2.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 110.45 -174.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.3 m -158.4 126.91 5.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 108.338 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -96.61 104.69 16.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 173.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 53.5 t -76.94 -102.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.05 . . . . 0.0 108.292 -166.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.693 HG22 ' H ' ' A' ' 35' ' ' ILE . 1.5 p -159.86 -167.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -168.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.693 ' H ' HG22 ' A' ' 34' ' ' VAL . 3.7 mt -56.02 138.55 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -175.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.04 46.29 5.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.14 . . . . 0.0 110.949 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.485 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 5.8 m-85 -162.64 128.65 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.969 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 p -171.85 -161.57 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.609 1.193 . . . . 0.0 109.995 175.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.66 -145.41 18.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.51 -24.74 39.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 0.0 109.214 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 13' ' ' TYR . 59.8 mtp85 -132.66 -81.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.2 35.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.296 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -104.43 -7.86 19.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -171.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.1 m -112.77 108.88 18.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.449 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 174.297 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.1 m120 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -151.02 124.12 8.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.971 177.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -138.02 133.55 17.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.74 103.83 1.06 Allowed 'Trans proline' 0 CA--C 1.519 -0.226 0 C-N-CA 121.016 1.144 . . . . 0.0 112.304 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.03 152.5 22.9 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.163 . . . . 0.0 110.97 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.1 m 177.97 97.78 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.76 -178.54 2.01 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 121.065 1.177 . . . . 0.0 112.211 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 t -81.86 -5.28 58.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -49.11 -43.72 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.957 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -92.19 -51.28 5.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.7 t0 53.2 79.97 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.18 41.94 2.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -74.73 -17.67 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 110.94 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.1 m -119.77 118.64 31.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 108.363 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.628 HD22 ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -113.24 177.26 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -177.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 51.05 63.5 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.55 30.5 59.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.38 141.81 15.83 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.4 t -102.94 148.5 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 0.746 . . . . 0.0 109.237 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.41 136.93 37.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.331 -174.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mmt -142.16 166.68 24.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.483 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 4.3 t-160 -119.94 152.32 37.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.6 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 mm -108.86 -31.64 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 25' ' ' SER . 4.1 tt0 64.62 162.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.3 p 83.71 -33.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -123.45 8.22 9.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 175.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.9 t0 50.04 32.35 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 -171.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.3 115.19 26.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 -173.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.483 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 97.7 m-85 -94.15 118.64 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 177.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -98.75 179.2 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.437 -174.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.3 m -142.76 104.11 4.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.265 -175.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -67.7 143.26 56.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 170.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.537 ' SG ' ' C ' ' A' ' 37' ' ' TYR . 1.8 t -118.77 -158.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 108.326 -169.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.663 HG22 ' H ' ' A' ' 35' ' ' ILE . 2.0 p -153.68 -177.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -172.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.663 ' H ' HG22 ' A' ' 34' ' ' VAL . 45.3 mt -68.6 129.06 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -177.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 83.99 17.15 65.87 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -178.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.537 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 98.9 m-85 -161.88 136.27 6.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 0.0 110.989 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.7 t -157.52 176.77 12.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 0.0 109.993 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.62 -166.25 15.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 0.0 111.057 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -95.18 -1.66 51.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -144.25 20.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.7 t 48.07 74.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 108.336 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.2 -49.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 -170.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -61.16 99.94 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 110.451 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 p -80.11 141.84 35.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.05 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 62.8 t80 -138.6 134.18 17.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 111.024 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.79 101.38 0.77 Allowed 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 120.962 1.108 . . . . 0.0 112.311 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.94 148.1 8.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 111.075 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.7 p 177.87 122.56 0.19 Allowed Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.77 -178.06 1.81 Allowed 'Trans proline' 0 CA--C 1.52 -0.217 0 C-N-CA 121.016 1.144 . . . . 0.0 112.316 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -85.82 0.38 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.048 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.5 t -61.83 -38.08 86.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.07 . . . . 0.0 110.031 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -92.53 1.33 57.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 55.79 42.03 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 109.283 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.16 -33.36 4.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 64.8 12.34 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 111.013 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.2 114.98 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 108.346 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 15' ' ' LEU . 1.1 mm? -111.85 167.13 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 12.8 m-20 78.36 -58.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.247 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.63 48.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.15 167.48 21.59 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.0 t -108.95 151.15 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 0.735 . . . . 0.0 109.328 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 t -92.18 147.29 23.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 108.302 -171.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.7 tpt -158.25 142.82 16.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 28' ' ' SER . 6.0 t-160 -97.26 157.31 16.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.556 1.16 . . . . 0.0 109.59 -173.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.676 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.81 154.63 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 172.051 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 25' ' ' SER . 49.5 mt-10 -117.09 174.15 6.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.2 t 88.07 -33.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -178.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mt -126.83 7.72 6.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.285 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 44.27 47.14 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.606 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 17.8 t -96.78 163.53 12.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -178.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.486 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 55.1 m-85 -125.06 137.54 54.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 177.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.676 ' HB ' HD11 ' A' ' 23' ' ' ILE . 15.0 t -136.91 -176.21 4.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 -173.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.1 m -156.84 137.17 12.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 -175.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -93.03 134.64 34.96 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.4 m -107.69 -167.32 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 108.344 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.07 -167.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -166.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -46.75 136.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.63 39.38 2.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.915 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.482 ' CE1' ' HG2' ' A' ' 45' ' ' ARG . 9.4 m-85 -149.64 123.05 9.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 111.031 175.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p -162.39 163.86 27.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 139.08 46.69 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' GLY . 5.2 p-10 36.94 46.14 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 0.818 . . . . 0.0 109.27 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 27.1 ttt180 163.06 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -175.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 3.5 m 84.15 61.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.306 175.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -105.19 -39.8 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.5 m -85.77 119.0 25.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 -171.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.482 ' HG2' ' CE1' ' A' ' 37' ' ' TYR . 47.7 mtt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 172.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 m -72.36 101.03 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -102.69 134.02 20.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.927 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.84 113.29 3.17 Favored 'Trans proline' 0 CA--C 1.52 -0.208 0 C-N-CA 121.019 1.146 . . . . 0.0 112.267 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.425 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -171.92 154.43 21.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.2 m 179.07 101.98 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.8 -172.26 0.46 Allowed 'Trans proline' 0 CA--C 1.519 -0.234 0 C-N-CA 121.034 1.156 . . . . 0.0 112.285 -176.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.1 m -67.04 -23.38 65.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.977 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -76.06 -5.89 48.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.413 ' CE2' ' CG ' ' A' ' 29' ' ' TYR . 20.5 m-85 -128.5 79.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -78.7 64.6 3.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.365 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.441 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 107.73 -43.84 1.61 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.417 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 16.7 t80 49.14 20.96 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 0.777 . . . . 0.0 111.005 -177.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.763 ' C ' HD13 ' A' ' 15' ' ' LEU . 58.0 m -132.96 133.37 43.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 108.226 -176.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.858 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -129.83 164.82 23.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 175.189 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 10.0 m120 81.06 -50.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.28 87.41 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.529 1.143 . . . . 0.0 111.058 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.16 164.86 33.55 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.3 t -107.96 148.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.724 . . . . 0.0 109.375 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.84 135.38 41.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 108.28 -176.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.452 ' O ' HG22 ' A' ' 30' ' ' THR . 6.9 tpt -154.04 128.47 9.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.951 177.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 28' ' ' SER . 15.1 t-80 -92.0 160.17 15.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 109.636 -173.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.73 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.14 159.68 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 173.658 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 25' ' ' SER . 36.5 mt-10 -123.68 173.71 7.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.316 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 87.83 -35.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.982 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -123.26 5.49 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 175.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 46.24 45.88 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.593 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 5.0 t -103.74 165.47 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.413 ' CG ' ' CE2' ' A' ' 10' ' ' TYR . 74.0 m-85 -120.56 151.38 39.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.73 ' HB ' HD11 ' A' ' 23' ' ' ILE . 12.3 t -147.18 -171.29 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 110.375 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 9.9 m -147.87 133.24 18.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.299 -174.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -74.81 116.49 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 171.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.2 m -111.05 -166.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 108.336 -169.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' ILE . 17.0 m -141.74 -169.48 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 -168.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.448 ' C ' ' H ' ' A' ' 37' ' ' TYR . 13.3 mt -39.43 118.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -177.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.88 -37.05 1.46 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 171.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' H ' ' C ' ' A' ' 35' ' ' ILE . 35.6 m-85 -75.8 127.51 33.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 110.947 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.4 p -161.98 -168.82 2.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.978 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.26 -174.26 54.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -65.72 115.0 5.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.553 ' O ' HD22 ' A' ' 15' ' ' LEU . 7.2 mtp85 75.71 14.15 2.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 174.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.6 m 68.15 20.79 8.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 108.273 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -54.71 -40.94 69.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.3 m -66.22 89.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 -176.235 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -131.23 163.7 27.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.074 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -142.68 132.23 12.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 -174.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.8 100.51 0.71 Allowed 'Trans proline' 0 CA--C 1.521 -0.17 0 C-N-CA 121.041 1.161 . . . . 0.0 112.231 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.61 149.56 19.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.09 110.71 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -177.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 8' ' ' SER . 61.1 Cg_endo -68.87 -34.33 18.16 Favored 'Trans proline' 0 CA--C 1.52 -0.188 0 C-N-CA 120.937 1.091 . . . . 0.0 112.323 177.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 1.1 p 80.34 6.49 1.61 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 1.182 . . . . 0.0 110.062 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 t -87.53 0.43 55.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.408 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 33.7 m-85 -78.77 -89.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 1.3 m-20 163.72 88.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.03 50.76 7.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -49.38 -24.62 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 111.001 179.491 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -125.9 124.44 40.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 108.309 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.3 OUTLIER -129.85 152.69 49.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -174.323 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 9.7 m-20 81.79 -54.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 173.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.92 83.12 0.05 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.574 1.171 . . . . 0.0 111.02 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -157.75 149.89 20.57 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 177.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.05 155.05 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.35 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -90.27 129.27 36.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 108.257 -175.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.585 ' O ' HG22 ' A' ' 30' ' ' THR . 2.0 mmt -137.57 134.74 35.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.908 174.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.542 ' CD2' ' O ' ' A' ' 28' ' ' SER . 8.0 t-160 -92.91 158.05 16.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 -170.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.653 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.91 155.81 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 174.672 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -124.9 15.78 8.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 t -79.85 -30.98 40.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.11 19.53 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 t70 57.63 27.99 15.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -173.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.542 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 5.1 t -89.18 168.91 11.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -175.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -120.02 152.14 37.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.653 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.6 t -143.34 -172.65 3.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.6 m -148.51 132.75 17.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 108.278 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -82.46 123.67 29.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 170.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -89.33 -163.53 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.322 -170.56 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.751 HG22 ' H ' ' A' ' 35' ' ' ILE . 2.3 p -147.26 -171.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -168.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.751 ' H ' HG22 ' A' ' 34' ' ' VAL . 4.7 mm -59.3 141.47 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -173.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.67 32.92 8.49 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.427 1.079 . . . . 0.0 110.992 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.44 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 5.3 m-85 -153.37 129.08 10.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 111.032 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.5 m -147.07 174.41 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.57 172.56 14.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.51 -16.4 60.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -126.51 -69.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 174.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.1 m 164.94 38.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 108.307 177.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -87.86 -26.71 22.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -172.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.0 m -76.71 78.44 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 177.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.0 p30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m -77.5 104.05 7.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -108.57 134.29 20.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.944 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.73 112.14 2.8 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 121.035 1.157 . . . . 0.0 112.317 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.85 149.56 18.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.65 96.7 0.24 Allowed Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.72 -179.33 2.39 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 C-N-CA 121.014 1.143 . . . . 0.0 112.303 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 t -69.7 -19.51 63.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 0.0 109.977 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -76.28 -14.09 60.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -114.57 50.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -177.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -94.46 47.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.74 45.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 30.1 t80 -110.4 17.33 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 111.039 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -140.01 116.65 10.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 108.287 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -94.75 172.96 7.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 54.24 35.79 23.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.23 34.53 74.23 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.76 158.67 48.85 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.4 t -95.27 149.65 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 t -90.92 140.08 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 -175.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.616 ' O ' HG22 ' A' ' 30' ' ' THR . 16.5 ttt -154.96 130.4 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.075 . . . . 0.0 111.006 174.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 28' ' ' SER . 13.1 t-80 -89.43 159.44 17.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.56 -171.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.661 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.02 151.12 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 173.172 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -122.09 12.15 10.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.2 t -81.78 -32.03 31.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.2 19.57 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 52.62 39.39 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -174.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.569 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.1 t -107.14 170.68 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 -176.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.402 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 54.2 m-85 -118.27 149.27 41.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 175.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.661 ' HB ' HD11 ' A' ' 23' ' ' ILE . 12.1 t -139.34 -176.36 4.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.451 178.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 27.4 m -154.84 129.08 8.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.32 -173.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -76.46 115.19 15.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 172.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.9 m -106.41 -141.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 108.276 -169.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.26 -175.51 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.39 144.86 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -175.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.69 34.8 15.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -176.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.617 ' CZ ' ' HG3' ' A' ' 45' ' ' ARG . 1.1 m-85 -154.13 114.1 3.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 110.953 -178.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.0 p -163.64 -157.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.63 -89.77 0.79 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.434 1.084 . . . . 0.0 111.002 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -168.37 125.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.371 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 41' ' ' ARG . 9.7 ttm105 69.45 17.39 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -173.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 m 60.95 78.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.313 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 43' ' ' GLN . 6.1 tp60 -119.45 -52.77 2.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -170.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.0 m -64.88 83.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 176.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.617 ' HG3' ' CZ ' ' A' ' 37' ' ' TYR . 34.7 ttp-105 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 p -93.15 98.88 11.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -104.18 132.63 20.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.79 115.46 3.96 Favored 'Trans proline' 0 CA--C 1.519 -0.225 0 C-N-CA 121.0 1.133 . . . . 0.0 112.313 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 6' ' ' CYS . . . 179.23 156.0 16.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 5' ' ' GLY . 2.1 p 166.14 85.63 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 9' ' ' SER . 61.2 Cg_endo -68.77 158.52 57.49 Favored 'Trans proline' 0 CA--C 1.52 -0.204 0 C-N-CA 120.998 1.132 . . . . 0.0 112.374 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t 57.43 8.2 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.985 -172.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 7' ' ' PRO . 8.7 t 51.14 22.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 -175.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 9' ' ' SER . 2.8 m-85 33.04 47.07 0.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -174.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t0 53.52 69.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.345 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 49.48 42.24 34.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 175.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -48.42 -32.33 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 111.003 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 4.2 m -123.31 145.89 48.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.39 176.02 12.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -177.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 51.12 64.53 1.8 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.99 19.12 69.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.89 112.02 4.25 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.0 t -84.9 143.2 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.243 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 23.8 t -88.66 130.29 35.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 108.255 -174.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.498 ' O ' HG22 ' A' ' 30' ' ' THR . 87.1 mmm -143.68 123.11 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 176.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 28' ' ' SER . 21.7 t-80 -88.42 146.74 25.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.67 -174.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.424 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -106.57 145.79 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.629 1.206 . . . . 0.0 109.277 174.071 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -119.37 14.75 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.316 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.453 ' O ' HD22 ' A' ' 26' ' ' LEU . 22.4 m -92.07 -33.25 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.969 176.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.453 HD22 ' O ' ' A' ' 25' ' ' SER . 1.6 mm? -122.39 9.28 9.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 56.32 26.56 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.629 1.206 . . . . 0.0 109.324 -167.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.636 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 8.6 p -90.1 167.39 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.02 -173.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.403 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 31.9 m-85 -120.69 145.28 47.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 175.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 21' ' ' MET . 0.5 OUTLIER -135.77 173.79 11.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -174.289 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' N ' HG23 ' A' ' 30' ' ' THR . 96.8 m -143.65 110.26 5.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 108.359 -173.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -73.49 101.98 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.6 m -87.21 -166.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 108.379 -172.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.734 HG22 ' H ' ' A' ' 35' ' ' ILE . 2.1 p -142.32 -168.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 109.389 -169.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.734 ' H ' HG22 ' A' ' 34' ' ' VAL . 4.7 mm -55.63 137.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -174.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.74 32.77 8.57 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -147.89 123.06 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.6 p -160.77 -159.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.33 37.45 4.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 45.2 47.58 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 29.0 ttm105 173.14 -31.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 110.259 -176.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 3.2 m 84.46 18.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 175.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.449 ' HB3' HE21 ' A' ' 43' ' ' GLN . 0.0 OUTLIER -85.45 -23.1 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.267 176.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 m -86.95 108.03 18.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 176.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . 0.485 ' H3 ' ' HB2' ' A' ' 24' ' ' GLU . 3.1 p30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -73.31 106.15 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.016 177.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -112.48 136.93 21.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 111.024 -176.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.74 120.11 7.06 Favored 'Trans proline' 0 CA--C 1.52 -0.206 0 C-N-CA 120.974 1.116 . . . . 0.0 112.314 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.61 154.64 15.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.84 96.35 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.78 179.86 2.91 Favored 'Trans proline' 0 CA--C 1.52 -0.181 0 C-N-CA 120.977 1.118 . . . . 0.0 112.341 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.7 m -78.69 -9.92 59.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.049 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.2 t -50.26 -44.51 53.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.928 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -88.62 -55.76 3.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 46.29 70.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.55 45.81 0.31 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -84.23 -2.21 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 111.021 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.3 m -126.12 146.49 49.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 108.344 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.92 174.01 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 48.1 39.92 12.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.217 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.26 86.56 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 175.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.02 149.24 17.41 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.5 160.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.29 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.78 139.6 31.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.327 -173.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.7 ttt -154.39 137.7 15.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 176.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' 28' ' ' SER . 11.7 t-80 -93.58 160.13 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 -174.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.749 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.54 162.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 174.46 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 25' ' ' SER . 9.1 mm-40 -124.41 173.87 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 88.43 -34.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mt -125.93 6.87 7.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 175.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 45.63 44.02 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -177.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.567 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.7 t -101.63 163.43 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.409 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 75.2 m-85 -118.49 154.8 31.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.749 ' HB ' HD11 ' A' ' 23' ' ' ILE . 14.2 t -147.81 -174.24 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.7 m -148.22 132.98 17.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.296 -175.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -83.66 120.69 26.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 174.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.18 -165.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.338 -173.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.485 ' O ' ' O ' ' A' ' 37' ' ' TYR . 4.2 m -134.76 171.26 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 -173.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.46 129.28 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 174.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . 96.87 -34.73 4.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.545 1.153 . . . . 0.0 111.099 -179.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.513 ' HA ' ' O ' ' A' ' 44' ' ' THR . 90.6 m-85 -119.32 141.88 48.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 0.79 . . . . 0.0 111.007 -175.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 p -164.81 173.79 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.96 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.61 165.96 11.88 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -50.44 -31.72 15.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.519 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 44.6 mtm-85 -113.11 -58.91 2.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.346 173.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 163.65 38.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 108.311 176.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -59.54 -60.55 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -170.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.1 m -46.69 144.51 2.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.16 . . . . 0.0 110.415 178.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.493 ' C ' ' O ' ' A' ' 36' ' ' GLY . 73.9 mtt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.4 m120 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -128.49 144.23 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.019 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -142.83 139.97 17.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -174.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.79 124.6 11.65 Favored 'Trans proline' 0 CA--C 1.521 -0.164 0 C-N-CA 120.97 1.113 . . . . 0.0 112.269 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.65 149.74 10.31 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.4 t -173.62 89.12 0.37 Allowed Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.77 -175.93 1.07 Allowed 'Trans proline' 0 CA--C 1.519 -0.249 0 C-N-CA 120.95 1.1 . . . . 0.0 112.328 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -88.37 5.34 42.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.6 m -55.26 -39.64 70.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -103.84 -146.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.051 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 169.98 94.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.31 47.43 4.93 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.566 1.167 . . . . 0.0 110.997 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -64.35 -23.7 67.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.616 0.833 . . . . 0.0 111.057 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.46 134.23 48.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.395 1.059 . . . . 0.0 108.279 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -122.42 165.57 16.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 6.6 m120 77.74 -57.43 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 176.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.33 78.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.45 -176.22 14.67 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.5 t -125.46 150.06 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 0.725 . . . . 0.0 109.294 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.422 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 28.2 t -94.25 138.84 31.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 -175.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -151.69 144.29 24.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.992 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 28' ' ' SER . 11.7 t-80 -88.87 159.48 17.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.575 -170.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.848 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -122.61 154.44 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 173.688 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -119.08 9.59 11.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.4 t -79.43 -38.16 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.015 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.3 15.37 4.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t70 57.9 26.46 13.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.381 -174.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.55 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.4 t -90.99 166.07 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.182 . . . . 0.0 110.004 -177.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.445 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 70.8 m-85 -116.47 141.38 48.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 173.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.848 ' HB ' HD11 ' A' ' 23' ' ' ILE . 14.3 t -134.76 -175.03 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' CB ' ' HA ' ' A' ' 41' ' ' ARG . 1.5 m -153.1 134.64 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 108.334 -173.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -102.46 162.57 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.56 -152.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.268 -174.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 37' ' ' TYR . 10.2 m -134.13 171.65 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -171.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 mt -51.11 125.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.613 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 97.25 3.75 58.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 -173.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.613 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 92.2 m-85 -165.94 134.74 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 111.001 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 p -170.07 -160.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 169.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.39 -143.38 16.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.08 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -74.32 -15.95 60.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -153.75 -84.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.079 . . . . 0.0 110.278 175.401 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.8 m -155.56 27.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 108.317 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -77.39 -43.6 32.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 -173.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.5 m -71.92 80.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 10.2 ptm180 -75.03 67.91 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -134.65 170.04 16.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.61 -90.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 50' ' ' TRP . 20.6 mmt85 53.61 90.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 172.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -52.96 102.56 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 108.062 175.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.468 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -126.42 27.44 6.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 107.986 -175.247 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -159.08 159.68 34.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.31 159.9 41.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.6 m120 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -157.01 160.06 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -139.75 141.39 27.65 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -175.491 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.84 110.9 2.47 Favored 'Trans proline' 0 CA--C 1.519 -0.232 0 C-N-CA 121.0 1.133 . . . . 0.0 112.262 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.3 146.63 12.2 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -174.49 87.68 0.33 Allowed Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 61.3 Cg_endo -68.75 -178.64 2.04 Favored 'Trans proline' 0 CA--C 1.52 -0.222 0 C-N-CA 121.015 1.143 . . . . 0.0 112.342 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.4 p -71.11 -16.7 62.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.948 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.1 m -47.75 -48.06 30.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.004 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -98.26 -48.36 5.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t0 50.46 74.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.87 43.45 1.41 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -54.54 -33.57 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.992 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.3 145.03 35.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 108.311 177.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.56 167.08 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 56.88 45.01 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 173.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.74 -12.72 68.91 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 169.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.38 151.48 17.92 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.4 t -111.85 142.32 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -93.62 137.57 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 108.289 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 33.1 mtp -134.01 168.91 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 28' ' ' SER . 6.6 t-160 -124.62 157.38 35.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.615 -176.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.481 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -130.87 152.31 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 173.565 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -116.07 9.08 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.5 p -77.39 -33.8 55.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.63 15.71 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t70 55.57 30.32 15.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.556 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.4 t -91.81 166.24 12.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.932 -175.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 67.3 m-85 -117.53 127.18 53.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.587 1.179 . . . . 0.0 111.015 175.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.481 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.1 t -113.0 -169.09 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 -174.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.0 139.96 15.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 108.33 -175.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -111.89 127.32 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 168.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 1.4 t -94.93 -159.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.328 -167.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.96 -171.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -169.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.8 mt -67.85 136.85 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -176.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.18 31.18 26.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.518 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 4.2 m-85 -146.88 124.79 11.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 0.718 . . . . 0.0 111.007 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 t -161.45 -169.98 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 108.53 36.41 2.26 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 4.3 t0 76.8 -63.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 109.359 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.532 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 55.8 mtm180 -85.38 -69.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 158.65 50.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 108.348 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.4 -51.07 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.233 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.0 m -68.38 100.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.475 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 1.5 ttp85 -81.9 93.58 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.247 178.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.57 -158.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -112.16 -72.64 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.0 ttm-85 61.92 47.13 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.318 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.426 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 0.0 OUTLIER 58.88 162.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 108.015 -177.543 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 49' ' ' TRP . 16.2 m95 -157.23 179.65 9.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 107.991 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.58 151.9 50.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -172.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 pp -142.64 158.21 43.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.231 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.0 m120 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -54.14 131.39 41.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -124.11 137.11 28.43 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.74 104.72 1.19 Allowed 'Trans proline' 0 CA--C 1.519 -0.265 0 C-N-CA 120.955 1.103 . . . . 0.0 112.365 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.28 148.85 16.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.421 1.075 . . . . 0.0 110.982 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -175.92 101.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -178.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.79 -179.86 2.74 Favored 'Trans proline' 0 CA--C 1.52 -0.182 0 C-N-CA 120.953 1.102 . . . . 0.0 112.307 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.2 p -78.0 -11.5 59.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.022 -177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.4 t -55.25 -51.64 65.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.004 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -91.53 -9.76 43.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 42.39 60.73 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.27 -40.73 2.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 59.29 14.49 3.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.968 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -129.44 146.42 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 108.322 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 1.8 pp -134.24 178.92 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 15.8 m-20 66.4 -71.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 175.73 75.57 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.63 167.14 25.14 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.5 t -112.41 153.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.0 t -90.99 142.62 27.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 108.322 -175.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.6 mtp -148.12 130.04 15.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 28' ' ' SER . 5.7 t-160 -81.98 153.01 26.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.741 HD11 ' HB ' ' A' ' 30' ' ' THR . 1.0 OUTLIER -108.23 -26.78 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.389 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 25' ' ' SER . 8.0 pt-20 46.59 -176.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 -178.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.2 p 82.0 -38.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 mt -130.52 13.62 5.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 175.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t0 58.17 37.09 26.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 35.4 t -100.3 146.35 27.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.411 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 70.1 m-85 -118.83 149.77 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.741 ' HB ' HD11 ' A' ' 23' ' ' ILE . 14.4 t -141.74 -173.12 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.1 m -147.46 138.23 23.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.337 -177.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -109.73 111.98 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 170.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.481 ' C ' HG22 ' A' ' 34' ' ' VAL . 11.5 t -99.7 -79.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.295 -168.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.481 HG22 ' C ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -155.11 -165.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -175.115 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mt -71.27 121.32 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -176.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.0 11.19 50.43 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.461 ' CE1' ' CB ' ' A' ' 45' ' ' ARG . 2.0 m-85 -113.77 113.25 24.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.982 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -169.61 -159.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.069 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 108.82 60.17 0.53 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 111.055 177.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 19.2 t0 80.66 -53.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 0.796 . . . . 0.0 109.221 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 42' ' ' CYS . 16.6 mtt85 -119.02 -72.82 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 41' ' ' ARG . 43.9 t 175.09 37.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 108.325 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -83.36 -34.01 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -84.46 86.27 7.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 2.5 ptp85 -87.44 114.62 24.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 175.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -58.08 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -175.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 79.3 mt -134.52 -49.17 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 -177.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 10.9 ttt180 82.47 51.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -70.82 -15.32 62.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 107.992 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -81.53 74.5 8.52 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -140.53 -59.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 mt -84.06 151.62 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.4 m120 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -131.65 141.39 49.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -136.88 135.45 20.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.89 102.45 0.89 Allowed 'Trans proline' 0 CA--C 1.519 -0.227 0 C-N-CA 120.977 1.118 . . . . 0.0 112.291 173.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.46 151.18 22.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.41 89.56 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.76 -174.58 0.75 Allowed 'Trans proline' 0 CA--C 1.52 -0.215 0 C-N-CA 121.04 1.16 . . . . 0.0 112.293 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -56.19 -26.39 50.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.3 t -61.78 -39.58 92.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -108.39 45.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 111.058 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -93.46 39.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.94 39.67 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -96.25 -15.88 21.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 111.026 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -103.55 130.31 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 0.0 108.323 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.37 -136.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -87.59 49.93 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 -171.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.74 85.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.409 1.068 . . . . 0.0 110.994 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.53 155.98 17.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.21 142.26 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.36 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.4 t -88.65 136.32 33.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.323 -174.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.7 ptm -149.82 171.65 16.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 111.025 173.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 28' ' ' SER . 7.5 t-80 -118.09 147.88 42.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.604 -172.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.473 HD13 ' N ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -115.41 128.99 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 169.41 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -93.18 -10.21 36.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.297 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.0 p -69.26 -39.7 78.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 mt -119.92 7.23 10.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.5 t70 52.42 32.65 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.602 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -95.08 165.23 12.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -175.611 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -122.15 118.48 28.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -121.03 -174.4 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 -173.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.23 117.91 7.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 108.312 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -63.43 115.72 4.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -89.81 -167.45 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.335 -173.425 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.4 m -138.39 -170.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 -169.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.6 mt -61.77 138.67 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 -172.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.57 28.75 10.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.433 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.2 m-85 -144.43 123.26 12.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.979 -177.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -156.16 -169.78 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 107.12 32.02 3.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 16.9 t0 79.81 -61.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 81.5 mtm-85 -88.04 -69.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.232 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 156.43 43.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.286 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.7 pm0 -94.13 -24.12 17.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.268 -173.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -92.7 96.99 10.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -76.29 85.47 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.517 ' O ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -63.92 -36.48 84.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.202 -177.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.517 HD22 ' O ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -140.31 -168.46 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -177.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -144.8 56.95 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.207 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.466 ' C ' ' CG ' ' A' ' 50' ' ' TRP . 57.1 t-105 -81.31 68.5 7.65 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.466 ' CG ' ' C ' ' A' ' 49' ' ' TRP . 1.7 m95 -156.93 -56.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 107.997 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.61 133.32 41.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -157.9 -57.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -56.08 140.0 45.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.429 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 64.6 t80 -141.31 138.49 17.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 111.018 -176.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.83 103.74 1.06 Allowed 'Trans proline' 0 CA--C 1.521 -0.151 0 C-N-CA 121.011 1.141 . . . . 0.0 112.211 175.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.09 152.63 24.25 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.67 93.04 0.27 Allowed Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.473 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 61.5 Cg_endo -68.77 -179.11 2.27 Favored 'Trans proline' 0 CA--C 1.519 -0.27 0 C-N-CA 121.035 1.157 . . . . 0.0 112.339 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 t -76.89 -11.45 59.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.998 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -50.54 -47.08 57.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.037 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -94.57 -50.79 5.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.9 t0 49.4 75.67 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 109.387 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.38 43.01 1.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.71 -45.15 70.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 111.029 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.66 163.96 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.268 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -145.38 155.37 43.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -177.407 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.7 p30 33.32 71.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 173.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.1 -47.77 1.0 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 164.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.82 150.28 42.95 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -174.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 t -122.7 144.07 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 t -83.55 141.64 31.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.371 -172.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.1 mtp -144.6 169.06 18.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' A' ' 28' ' ' SER . 1.9 t-160 -117.67 148.72 41.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.578 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -102.7 -41.35 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 178.618 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 23' ' ' ILE . 13.3 tt0 83.89 -48.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 171.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.0 t -61.22 -32.19 71.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.038 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.09 1.22 20.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t70 56.4 28.46 13.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -176.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.555 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -105.89 158.5 16.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 -177.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.473 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 86.7 m-85 -114.65 111.0 20.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 176.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -95.48 -171.56 2.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -171.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.9 m -151.23 122.29 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 108.314 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -91.39 124.94 35.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -93.46 -172.68 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 108.301 -169.23 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.743 HG22 ' H ' ' A' ' 35' ' ' ILE . 2.1 p -139.59 -171.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -168.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.743 ' H ' HG22 ' A' ' 34' ' ' VAL . 3.5 mt -62.73 137.94 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -173.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.05 30.72 47.02 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 45' ' ' ARG . 6.7 m-85 -150.49 125.19 9.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 110.949 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 m -155.93 177.34 11.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 112.96 36.94 1.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 4.9 t70 76.19 -65.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 109.321 -177.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.618 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 2.4 mpp_? -83.02 -69.43 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -178.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.618 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 1.4 m 150.37 48.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 108.294 177.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 44' ' ' THR . 16.4 pm0 -98.75 -26.55 14.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 -174.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 27.7 m -86.84 98.07 11.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.462 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 1.4 ttm180 -79.48 98.24 6.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' ARG . 5.9 m-20 -96.98 -178.48 4.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 177.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 47.39 -93.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.1 ttp-105 70.1 32.35 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.319 -178.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.59 16.65 19.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.022 -178.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 7.8 p-90 -134.12 20.41 3.75 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -172.0 153.25 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.258 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -88.91 -45.73 9.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.3 m120 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -82.78 112.14 19.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -112.75 136.23 21.6 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.73 109.22 2.05 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 C-N-CA 121.031 1.154 . . . . 0.0 112.354 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.91 131.97 3.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.1 m -150.72 77.08 7.98 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.79 -176.3 1.18 Allowed 'Trans proline' 0 CA--C 1.52 -0.186 0 C-N-CA 120.967 1.111 . . . . 0.0 112.287 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.2 p -82.59 0.11 44.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.061 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.6 m -50.95 -55.7 15.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.074 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.455 ' CD2' ' N ' ' A' ' 11' ' ' ASP . 16.9 p90 -119.36 -44.42 2.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 111.03 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.455 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 33.6 t0 47.33 80.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.99 52.46 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 3.3 t80 -85.06 -1.87 57.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 111.02 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 m -115.65 119.74 37.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 7.7 mt -97.6 155.42 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 5.9 m-20 76.31 -55.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -176.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.21 -85.23 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.8 -164.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.6 t -142.94 141.63 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.3 t -79.42 136.97 37.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.278 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.444 ' O ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -156.21 130.87 8.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.169 . . . . 0.0 111.002 177.338 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 28' ' ' SER . 14.0 t-80 -92.92 158.63 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.593 -175.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.781 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -121.88 159.92 24.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 175.588 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 25' ' ' SER . 6.6 mm-40 -120.19 173.48 7.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 1.059 . . . . 0.0 110.29 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 87.81 -37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mt -122.07 2.61 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t70 51.16 33.63 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.578 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 5.0 t -88.45 161.61 16.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.483 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 71.0 m-85 -117.84 150.83 38.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.781 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.8 t -145.5 -176.07 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 -177.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.1 m -152.87 124.82 7.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 108.308 -175.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -68.52 118.02 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 172.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -103.41 -168.45 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 108.277 -170.114 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.8 m -143.43 173.11 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -171.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.417 ' HA ' ' CZ2' ' A' ' 50' ' ' TRP . 7.1 mt -53.81 133.28 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 0.0 109.353 -174.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.83 20.26 79.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.492 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 74.8 m-85 -158.5 131.24 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 110.968 178.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -155.04 179.79 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.971 175.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.76 -169.97 14.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -76.01 -12.59 60.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.254 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.513 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 58.1 mtt85 -129.58 -68.47 0.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 176.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.2 m 160.51 46.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 108.324 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.24 -44.52 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -171.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -65.31 101.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.409 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HD2' HH11 ' A' ' 45' ' ' ARG . 14.2 mtt85 -79.43 98.32 6.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 176.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -34.99 78.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -175.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.2 mt 49.56 68.75 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -175.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.501 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 0.0 OUTLIER 173.47 115.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -174.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -62.32 129.21 39.68 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.501 ' CD1' ' O ' ' A' ' 48' ' ' ARG . 1.2 m0 -89.13 -15.1 34.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -122.5 -176.77 3.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.217 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.5 mt -117.75 -65.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.8 mtm105 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.661 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 22.6 m120 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -85.09 131.99 34.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -129.71 137.59 31.25 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.75 111.68 2.67 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 120.996 1.13 . . . . 0.0 112.333 175.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.57 153.75 24.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.72 96.12 0.19 Allowed Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.82 -172.44 0.48 Allowed 'Trans proline' 0 CA--C 1.519 -0.26 0 C-N-CA 120.973 1.116 . . . . 0.0 112.282 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 p -66.7 -22.89 66.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 t -73.78 -9.93 59.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -128.83 84.18 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -79.19 66.31 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.373 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.32 -34.68 5.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.8 t80 42.55 35.02 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 0.752 . . . . 0.0 111.009 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.14 131.55 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.68 151.59 39.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 53.93 55.78 7.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.216 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.62 105.71 0.2 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 173.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.51 157.3 14.83 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.24 152.59 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.8 t -85.33 144.76 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.287 -172.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.699 ' O ' HG22 ' A' ' 30' ' ' THR . 37.1 mtp -149.7 119.6 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 172.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 28' ' ' SER . 17.8 t-80 -81.82 162.41 22.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -172.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.723 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.63 151.83 30.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 174.519 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -118.92 9.97 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.8 m -79.82 -37.81 34.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.19 15.46 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 59.03 25.41 13.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -174.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.562 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.2 t -89.85 168.31 12.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.412 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 78.7 m-85 -116.63 144.78 43.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 111.049 175.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.723 ' HB ' HD11 ' A' ' 23' ' ' ILE . 9.9 t -134.4 -174.53 3.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.69 150.96 25.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -173.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 32' ' ' ASN . 5.9 p-10 -124.44 125.83 44.91 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 170.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.539 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 72.4 m -112.8 -111.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.378 1.049 . . . . 0.0 108.333 -164.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.7 -165.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -169.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.1 pt -67.43 123.28 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.73 9.39 45.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CZ ' ' HG2' ' A' ' 45' ' ' ARG . 4.3 m-85 -116.74 126.89 53.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 111.042 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -170.44 -159.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.0 -174.15 16.16 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -55.35 -35.58 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.277 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.539 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 87.8 mtm-85 -120.81 -81.49 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 172.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.9 m -154.19 26.12 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 173.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.0 tt0 -63.01 -43.24 99.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -170.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 m -60.89 81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 110.429 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.533 ' HG2' ' CZ ' ' A' ' 37' ' ' TYR . 1.4 ttp-105 -80.27 141.07 35.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -175.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -63.64 -161.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 47' ' ' LEU . 5.4 mp -109.46 35.82 3.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 tpt180 61.49 53.79 3.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -61.25 -24.41 66.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.539 1.15 . . . . 0.0 107.992 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -59.5 -42.35 91.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -178.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -93.93 165.79 12.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.325 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -47.24 71.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -84.55 111.83 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 110.054 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -119.93 138.49 26.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.87 116.55 4.52 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 120.985 1.124 . . . . 0.0 112.272 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.45 150.76 13.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 p 179.66 96.97 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.78 179.8 2.95 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 121.088 1.192 . . . . 0.0 112.258 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.9 p -76.66 -11.68 59.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -50.05 -42.84 50.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.96 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -94.3 -57.23 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.98 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 46.36 77.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.66 47.16 0.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -93.37 11.64 27.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.937 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -131.38 129.1 40.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 108.243 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt -123.56 175.73 6.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 50.04 46.34 24.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.12 53.02 49.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.12 158.79 14.66 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -106.19 159.79 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.36 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 143.22 29.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 -175.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.539 ' O ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -164.5 126.58 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 175.279 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 28' ' ' SER . 21.4 t-80 -94.48 155.57 16.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.55 -176.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.644 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -115.96 150.11 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 175.216 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -124.9 23.3 7.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -176.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.4 t -98.2 -37.67 9.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -121.22 9.41 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.76 25.3 14.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -174.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -92.76 167.95 11.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.058 -178.341 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.431 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 75.5 m-85 -115.19 151.12 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 175.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.644 ' HB ' HD11 ' A' ' 23' ' ' ILE . 10.1 t -145.72 -173.32 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.459 -178.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.6 m -156.55 131.13 8.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 -175.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -70.66 145.16 50.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 176.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.1 m -129.32 -166.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.359 -173.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.7 m -132.34 -177.98 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -172.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.567 HG22 ' CE2' ' A' ' 50' ' ' TRP . 2.6 mt -59.25 136.61 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.457 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 59.39 37.7 92.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -176.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.457 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 29.2 m-85 -164.43 113.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 0.795 . . . . 0.0 110.966 175.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.8 p -165.32 -174.84 3.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.989 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.36 34.91 4.6 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 66.54 125.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 0.74 . . . . 0.0 109.334 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 69.44 5.33 5.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 m 60.49 89.44 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.409 1.068 . . . . 0.0 108.286 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -125.43 -58.85 1.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.282 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -57.82 97.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.442 178.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 111.49 17.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t0 70.76 -174.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 174.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 47' ' ' LEU . 6.5 mp 59.16 60.33 2.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.601 1.188 . . . . 0.0 109.29 -175.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -167.87 70.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -177.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.423 ' O ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER 64.89 132.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 175.398 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.567 ' CE2' HG22 ' A' ' 35' ' ' ILE . 39.5 m95 -160.86 -71.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.028 177.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -127.68 156.14 42.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 tt -150.78 132.37 14.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.335 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -91.84 138.24 31.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.935 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.401 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 58.4 t80 -139.43 130.41 14.69 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -177.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.78 100.58 0.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 121.031 1.154 . . . . 0.0 112.268 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.85 149.82 11.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.616 1.197 . . . . 0.0 111.036 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 p 173.11 116.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.77 -177.38 1.53 Allowed 'Trans proline' 0 CA--C 1.52 -0.187 0 C-N-CA 120.964 1.109 . . . . 0.0 112.269 -176.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m -62.52 -21.8 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.935 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -56.08 -33.02 64.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 109.978 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -111.47 46.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -90.62 43.03 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.4 40.57 0.05 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.499 1.125 . . . . 0.0 110.953 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 1.6 t80 -107.66 7.48 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 0.796 . . . . 0.0 111.056 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.84 111.74 10.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 108.278 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -100.94 169.04 9.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -176.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 47.43 61.33 2.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.2 175.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.8 58.34 12.85 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.522 1.139 . . . . 0.0 110.949 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.31 157.7 15.79 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.63 153.6 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.3 t -93.33 147.65 22.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.267 -173.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.7 tpt -159.56 144.77 15.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 175.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 28' ' ' SER . 6.5 t-80 -100.56 154.98 18.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.59 -173.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.58 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -121.52 140.98 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 169.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -107.34 4.1 26.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 -175.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m -76.0 -37.07 58.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.891 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.22 14.14 4.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t70 56.67 27.79 13.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.301 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.596 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 7.2 t -84.99 166.09 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.017 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.41 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 53.6 m-85 -120.91 118.7 30.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 176.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.58 ' HB ' HD11 ' A' ' 23' ' ' ILE . 14.8 t -113.46 -172.95 2.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 110.45 -174.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.3 m -158.4 126.91 5.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 108.338 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -96.61 104.69 16.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 173.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 53.5 t -76.94 -102.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.05 . . . . 0.0 108.292 -166.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.693 HG22 ' H ' ' A' ' 35' ' ' ILE . 1.5 p -159.86 -167.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -168.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.693 ' H ' HG22 ' A' ' 34' ' ' VAL . 3.7 mt -56.02 138.55 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -175.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.04 46.29 5.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.14 . . . . 0.0 110.949 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.485 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 5.8 m-85 -162.64 128.65 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.969 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 p -171.85 -161.57 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.609 1.193 . . . . 0.0 109.995 175.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.66 -145.41 18.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.51 -24.74 39.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 0.0 109.214 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 13' ' ' TYR . 59.8 mtp85 -132.66 -81.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.2 35.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.296 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -104.43 -7.86 19.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -171.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.1 m -112.77 108.88 18.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.449 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -75.16 86.41 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 174.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.76 -52.19 2.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -173.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.6 mt -58.24 171.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.9 ttm105 -174.31 62.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -61.93 -36.27 80.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.429 ' CE2' HG22 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -82.77 70.1 9.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 108.048 179.687 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -95.06 -8.76 35.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.243 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -146.66 165.98 27.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.24 179.34 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.65 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.1 m120 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -151.02 124.12 8.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.971 177.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -138.02 133.55 17.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.74 103.83 1.06 Allowed 'Trans proline' 0 CA--C 1.519 -0.226 0 C-N-CA 121.016 1.144 . . . . 0.0 112.304 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.03 152.5 22.9 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.163 . . . . 0.0 110.97 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.1 m 177.97 97.78 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.76 -178.54 2.01 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 121.065 1.177 . . . . 0.0 112.211 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 t -81.86 -5.28 58.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -49.11 -43.72 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.957 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -92.19 -51.28 5.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.7 t0 53.2 79.97 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.18 41.94 2.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -74.73 -17.67 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 110.94 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.1 m -119.77 118.64 31.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 108.363 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.628 HD22 ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -113.24 177.26 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -177.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 51.05 63.5 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.55 30.5 59.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.38 141.81 15.83 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.4 t -102.94 148.5 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 0.746 . . . . 0.0 109.237 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.41 136.93 37.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.331 -174.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mmt -142.16 166.68 24.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.483 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 4.3 t-160 -119.94 152.32 37.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.6 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 mm -108.86 -31.64 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 25' ' ' SER . 4.1 tt0 64.62 162.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.3 p 83.71 -33.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -123.45 8.22 9.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 175.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.9 t0 50.04 32.35 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 -171.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.3 115.19 26.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 -173.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.483 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 97.7 m-85 -94.15 118.64 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 177.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -98.75 179.2 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.437 -174.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.3 m -142.76 104.11 4.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.265 -175.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -67.7 143.26 56.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 170.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.537 ' SG ' ' C ' ' A' ' 37' ' ' TYR . 1.8 t -118.77 -158.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 108.326 -169.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.663 HG22 ' H ' ' A' ' 35' ' ' ILE . 2.0 p -153.68 -177.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -172.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.663 ' H ' HG22 ' A' ' 34' ' ' VAL . 45.3 mt -68.6 129.06 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -177.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 83.99 17.15 65.87 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -178.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 98.9 m-85 -161.88 136.27 6.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 0.0 110.989 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.7 t -157.52 176.77 12.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 0.0 109.993 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.62 -166.25 15.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 0.0 111.057 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -95.18 -1.66 51.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -144.25 20.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.7 t 48.07 74.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 108.336 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.2 -49.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 -170.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -61.16 99.94 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 110.451 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -74.16 114.36 12.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.258 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.09 -163.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 175.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.0 mt -142.51 -62.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 -175.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -129.46 58.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 -170.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -72.72 -16.59 61.66 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.462 ' CZ2' HG22 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -81.1 -36.34 30.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.156 . . . . 0.0 108.0 -173.202 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -83.09 -44.83 14.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.408 1.068 . . . . 0.0 110.247 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp -144.84 124.07 12.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.177 . . . . 0.0 109.336 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 -179.495 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 p -80.11 141.84 35.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.05 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 62.8 t80 -138.6 134.18 17.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 111.024 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.79 101.38 0.77 Allowed 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 120.962 1.108 . . . . 0.0 112.311 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.94 148.1 8.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 111.075 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.7 p 177.87 122.56 0.19 Allowed Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.77 -178.06 1.81 Allowed 'Trans proline' 0 CA--C 1.52 -0.217 0 C-N-CA 121.016 1.144 . . . . 0.0 112.316 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -85.82 0.38 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.048 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.5 t -61.83 -38.08 86.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.07 . . . . 0.0 110.031 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -92.53 1.33 57.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 55.79 42.03 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 109.283 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.16 -33.36 4.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 64.8 12.34 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 111.013 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.2 114.98 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 108.346 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 15' ' ' LEU . 1.1 mm? -111.85 167.13 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 12.8 m-20 78.36 -58.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.247 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.63 48.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.15 167.48 21.59 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.0 t -108.95 151.15 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 0.735 . . . . 0.0 109.328 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 t -92.18 147.29 23.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 108.302 -171.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.7 tpt -158.25 142.82 16.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 28' ' ' SER . 6.0 t-160 -97.26 157.31 16.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.556 1.16 . . . . 0.0 109.59 -173.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.676 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.81 154.63 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 172.051 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 25' ' ' SER . 49.5 mt-10 -117.09 174.15 6.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.2 t 88.07 -33.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -178.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mt -126.83 7.72 6.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.285 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 44.27 47.14 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.606 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 17.8 t -96.78 163.53 12.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -178.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.486 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 55.1 m-85 -125.06 137.54 54.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 177.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.676 ' HB ' HD11 ' A' ' 23' ' ' ILE . 15.0 t -136.91 -176.21 4.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 -173.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.1 m -156.84 137.17 12.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 -175.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -93.03 134.64 34.96 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.4 m -107.69 -167.32 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 108.344 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.07 -167.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -166.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.589 ' CG2' ' CZ2' ' A' ' 50' ' ' TRP . 0.3 OUTLIER -46.75 136.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.24 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.63 39.38 2.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.915 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.482 ' CE1' ' HG2' ' A' ' 45' ' ' ARG . 9.4 m-85 -149.64 123.05 9.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 111.031 175.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p -162.39 163.86 27.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 139.08 46.69 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' GLY . 5.2 p-10 36.94 46.14 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 0.818 . . . . 0.0 109.27 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 27.1 ttt180 163.06 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -175.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 3.5 m 84.15 61.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.306 175.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -105.19 -39.8 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.5 m -85.77 119.0 25.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 -171.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.482 ' HG2' ' CE1' ' A' ' 37' ' ' TYR . 47.7 mtt180 -83.48 88.52 7.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 172.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.474 ' HB3' HD22 ' A' ' 47' ' ' LEU . 1.1 m-20 -60.65 -71.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 109.335 -174.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 46' ' ' ASP . 0.9 OUTLIER -106.84 173.08 6.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -178.848 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -176.04 64.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.436 ' CD1' ' HE3' ' A' ' 50' ' ' TRP . 2.1 p90 -91.96 25.2 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 108.031 173.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.589 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 24.7 p90 -128.43 23.0 5.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 108.044 175.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -158.23 -55.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.2 mt -82.1 -49.37 10.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.7 mtm-85 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 m -72.36 101.03 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -102.69 134.02 20.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.927 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.84 113.29 3.17 Favored 'Trans proline' 0 CA--C 1.52 -0.208 0 C-N-CA 121.019 1.146 . . . . 0.0 112.267 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.425 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -171.92 154.43 21.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.2 m 179.07 101.98 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.8 -172.26 0.46 Allowed 'Trans proline' 0 CA--C 1.519 -0.234 0 C-N-CA 121.034 1.156 . . . . 0.0 112.285 -176.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.1 m -67.04 -23.38 65.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.977 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -76.06 -5.89 48.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' CE2' ' CG ' ' A' ' 29' ' ' TYR . 20.5 m-85 -128.5 79.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -78.7 64.6 3.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.365 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.441 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 107.73 -43.84 1.61 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.417 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 16.7 t80 49.14 20.96 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 0.777 . . . . 0.0 111.005 -177.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.763 ' C ' HD13 ' A' ' 15' ' ' LEU . 58.0 m -132.96 133.37 43.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 108.226 -176.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.858 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -129.83 164.82 23.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 175.189 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 10.0 m120 81.06 -50.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.28 87.41 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.529 1.143 . . . . 0.0 111.058 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.16 164.86 33.55 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.3 t -107.96 148.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.724 . . . . 0.0 109.375 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.84 135.38 41.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 108.28 -176.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.452 ' O ' HG22 ' A' ' 30' ' ' THR . 6.9 tpt -154.04 128.47 9.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.951 177.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 28' ' ' SER . 15.1 t-80 -92.0 160.17 15.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 109.636 -173.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.73 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.14 159.68 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 173.658 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 25' ' ' SER . 36.5 mt-10 -123.68 173.71 7.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.316 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 87.83 -35.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.982 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -123.26 5.49 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 175.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 46.24 45.88 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.593 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 5.0 t -103.74 165.47 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.413 ' CG ' ' CE2' ' A' ' 10' ' ' TYR . 74.0 m-85 -120.56 151.38 39.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.73 ' HB ' HD11 ' A' ' 23' ' ' ILE . 12.3 t -147.18 -171.29 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 110.375 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 9.9 m -147.87 133.24 18.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.299 -174.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -74.81 116.49 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 171.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.2 m -111.05 -166.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 108.336 -169.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' ILE . 17.0 m -141.74 -169.48 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 -168.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.524 HG23 ' CD2' ' A' ' 49' ' ' TRP . 13.3 mt -39.43 118.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -177.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.88 -37.05 1.46 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 171.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.482 ' CE2' ' OD1' ' A' ' 46' ' ' ASP . 35.6 m-85 -75.8 127.51 33.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 110.947 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.4 p -161.98 -168.82 2.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.978 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.26 -174.26 54.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -65.72 115.0 5.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.553 ' O ' HD22 ' A' ' 15' ' ' LEU . 7.2 mtp85 75.71 14.15 2.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 174.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.6 m 68.15 20.79 8.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 108.273 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -54.71 -40.94 69.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.3 m -66.22 89.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 46' ' ' ASP . 4.6 ttm105 -66.46 152.1 45.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 -176.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.482 ' OD1' ' CE2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -38.97 -59.8 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 178.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 12.8 mt 65.97 43.04 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -170.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 31.6 ttt180 79.7 71.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 176.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.524 ' CD2' HG23 ' A' ' 35' ' ' ILE . 4.0 t90 -86.16 -5.7 59.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 0.0 108.067 173.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.446 ' CD1' ' N ' ' A' ' 50' ' ' TRP . 0.1 OUTLIER -108.3 79.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 -166.076 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.23 -57.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.285 -177.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.7 mt -88.59 -36.32 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.725 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -131.23 163.7 27.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.074 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -142.68 132.23 12.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 -174.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.8 100.51 0.71 Allowed 'Trans proline' 0 CA--C 1.521 -0.17 0 C-N-CA 121.041 1.161 . . . . 0.0 112.231 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.61 149.56 19.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.09 110.71 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -177.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 8' ' ' SER . 61.1 Cg_endo -68.87 -34.33 18.16 Favored 'Trans proline' 0 CA--C 1.52 -0.188 0 C-N-CA 120.937 1.091 . . . . 0.0 112.323 177.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 1.1 p 80.34 6.49 1.61 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 1.182 . . . . 0.0 110.062 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 t -87.53 0.43 55.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.408 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 33.7 m-85 -78.77 -89.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 1.3 m-20 163.72 88.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.03 50.76 7.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -49.38 -24.62 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 111.001 179.491 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -125.9 124.44 40.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 108.309 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.3 OUTLIER -129.85 152.69 49.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -174.323 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 9.7 m-20 81.79 -54.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 173.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.92 83.12 0.05 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.574 1.171 . . . . 0.0 111.02 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -157.75 149.89 20.57 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 177.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.05 155.05 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.35 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -90.27 129.27 36.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 108.257 -175.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.585 ' O ' HG22 ' A' ' 30' ' ' THR . 2.0 mmt -137.57 134.74 35.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.908 174.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.542 ' CD2' ' O ' ' A' ' 28' ' ' SER . 8.0 t-160 -92.91 158.05 16.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 -170.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.653 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.91 155.81 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 174.672 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -124.9 15.78 8.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 t -79.85 -30.98 40.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.11 19.53 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 t70 57.63 27.99 15.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -173.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.542 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 5.1 t -89.18 168.91 11.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -175.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -120.02 152.14 37.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.653 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.6 t -143.34 -172.65 3.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.6 m -148.51 132.75 17.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 108.278 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -82.46 123.67 29.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 170.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -89.33 -163.53 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.322 -170.56 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.751 HG22 ' H ' ' A' ' 35' ' ' ILE . 2.3 p -147.26 -171.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -168.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.751 ' H ' HG22 ' A' ' 34' ' ' VAL . 4.7 mm -59.3 141.47 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -173.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.67 32.92 8.49 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.427 1.079 . . . . 0.0 110.992 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.44 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 5.3 m-85 -153.37 129.08 10.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 111.032 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.5 m -147.07 174.41 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.57 172.56 14.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.51 -16.4 60.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -126.51 -69.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 174.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.1 m 164.94 38.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 108.307 177.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -87.86 -26.71 22.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -172.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.0 m -76.71 78.44 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -74.33 118.96 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 177.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -69.48 -154.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 47' ' ' LEU . 2.2 mm? -108.61 -57.37 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -175.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 55.4 ttt-85 -169.66 75.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.244 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -85.35 64.26 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -143.94 30.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -159.92 163.13 34.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 -176.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -146.62 154.73 41.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.1 mtm-85 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 110.325 -179.478 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.0 p30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m -77.5 104.05 7.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -108.57 134.29 20.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.944 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.73 112.14 2.8 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 121.035 1.157 . . . . 0.0 112.317 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.85 149.56 18.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.65 96.7 0.24 Allowed Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.72 -179.33 2.39 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 C-N-CA 121.014 1.143 . . . . 0.0 112.303 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 t -69.7 -19.51 63.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 0.0 109.977 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -76.28 -14.09 60.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -114.57 50.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -177.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -94.46 47.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.74 45.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 30.1 t80 -110.4 17.33 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 111.039 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -140.01 116.65 10.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 108.287 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -94.75 172.96 7.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 54.24 35.79 23.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.23 34.53 74.23 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.76 158.67 48.85 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.4 t -95.27 149.65 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 t -90.92 140.08 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 -175.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.616 ' O ' HG22 ' A' ' 30' ' ' THR . 16.5 ttt -154.96 130.4 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.075 . . . . 0.0 111.006 174.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 28' ' ' SER . 13.1 t-80 -89.43 159.44 17.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.56 -171.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.661 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.02 151.12 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 173.172 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -122.09 12.15 10.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.2 t -81.78 -32.03 31.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.2 19.57 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 52.62 39.39 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -174.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.569 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.1 t -107.14 170.68 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 -176.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.402 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 54.2 m-85 -118.27 149.27 41.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 175.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.661 ' HB ' HD11 ' A' ' 23' ' ' ILE . 12.1 t -139.34 -176.36 4.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.451 178.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 27.4 m -154.84 129.08 8.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.32 -173.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -76.46 115.19 15.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 172.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.9 m -106.41 -141.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 108.276 -169.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.26 -175.51 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.39 144.86 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -175.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.69 34.8 15.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -176.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.617 ' CZ ' ' HG3' ' A' ' 45' ' ' ARG . 1.1 m-85 -154.13 114.1 3.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 110.953 -178.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.0 p -163.64 -157.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.63 -89.77 0.79 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.434 1.084 . . . . 0.0 111.002 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -168.37 125.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.371 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 41' ' ' ARG . 9.7 ttm105 69.45 17.39 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -173.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 m 60.95 78.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.313 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 43' ' ' GLN . 6.1 tp60 -119.45 -52.77 2.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -170.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.0 m -64.88 83.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 176.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.617 ' HG3' ' CZ ' ' A' ' 37' ' ' TYR . 34.7 ttp-105 -83.21 99.92 10.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.49 -175.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 47' ' ' LEU . 4.9 mt -75.53 -11.81 60.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -176.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 62.82 62.99 1.01 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 172.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -49.32 143.67 6.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 108.042 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -142.45 172.4 12.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 107.973 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -144.99 153.63 41.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.354 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.61 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -157.7 164.65 36.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 -179.852 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 p -93.15 98.88 11.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -104.18 132.63 20.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.79 115.46 3.96 Favored 'Trans proline' 0 CA--C 1.519 -0.225 0 C-N-CA 121.0 1.133 . . . . 0.0 112.313 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 6' ' ' CYS . . . 179.23 156.0 16.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 5' ' ' GLY . 2.1 p 166.14 85.63 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 9' ' ' SER . 61.2 Cg_endo -68.77 158.52 57.49 Favored 'Trans proline' 0 CA--C 1.52 -0.204 0 C-N-CA 120.998 1.132 . . . . 0.0 112.374 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t 57.43 8.2 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.985 -172.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 7' ' ' PRO . 8.7 t 51.14 22.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 -175.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 9' ' ' SER . 2.8 m-85 33.04 47.07 0.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -174.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t0 53.52 69.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.345 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 49.48 42.24 34.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 175.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -48.42 -32.33 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 111.003 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 4.2 m -123.31 145.89 48.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.39 176.02 12.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -177.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 51.12 64.53 1.8 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.99 19.12 69.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.89 112.02 4.25 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.0 t -84.9 143.2 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.243 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 23.8 t -88.66 130.29 35.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 108.255 -174.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.498 ' O ' HG22 ' A' ' 30' ' ' THR . 87.1 mmm -143.68 123.11 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 176.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 28' ' ' SER . 21.7 t-80 -88.42 146.74 25.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.67 -174.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.424 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -106.57 145.79 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.629 1.206 . . . . 0.0 109.277 174.071 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -119.37 14.75 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.316 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.453 ' O ' HD22 ' A' ' 26' ' ' LEU . 22.4 m -92.07 -33.25 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.969 176.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.453 HD22 ' O ' ' A' ' 25' ' ' SER . 1.6 mm? -122.39 9.28 9.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 56.32 26.56 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.629 1.206 . . . . 0.0 109.324 -167.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.636 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 8.6 p -90.1 167.39 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.02 -173.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.403 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 31.9 m-85 -120.69 145.28 47.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 175.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 21' ' ' MET . 0.5 OUTLIER -135.77 173.79 11.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -174.289 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' N ' HG23 ' A' ' 30' ' ' THR . 96.8 m -143.65 110.26 5.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 108.359 -173.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -73.49 101.98 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.6 m -87.21 -166.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 108.379 -172.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.734 HG22 ' H ' ' A' ' 35' ' ' ILE . 2.1 p -142.32 -168.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 109.389 -169.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.734 ' H ' HG22 ' A' ' 34' ' ' VAL . 4.7 mm -55.63 137.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -174.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.74 32.77 8.57 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -147.89 123.06 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.6 p -160.77 -159.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.33 37.45 4.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 45.2 47.58 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 29.0 ttm105 173.14 -31.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 110.259 -176.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 3.2 m 84.46 18.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 175.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.449 ' HB3' HE21 ' A' ' 43' ' ' GLN . 0.0 OUTLIER -85.45 -23.1 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.267 176.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 m -86.95 108.03 18.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -76.58 95.78 4.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -38.59 74.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -178.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.0 71.2 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 177.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -153.88 29.9 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.291 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -130.17 15.17 5.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 108.0 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.43 ' CD1' ' N ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -145.48 -59.34 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -177.402 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -85.11 153.57 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.33 35.99 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.866 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.485 ' H3 ' ' HB2' ' A' ' 24' ' ' GLU . 3.1 p30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -73.31 106.15 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.016 177.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -112.48 136.93 21.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 111.024 -176.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.74 120.11 7.06 Favored 'Trans proline' 0 CA--C 1.52 -0.206 0 C-N-CA 120.974 1.116 . . . . 0.0 112.314 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.61 154.64 15.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.84 96.35 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.78 179.86 2.91 Favored 'Trans proline' 0 CA--C 1.52 -0.181 0 C-N-CA 120.977 1.118 . . . . 0.0 112.341 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.7 m -78.69 -9.92 59.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.049 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.2 t -50.26 -44.51 53.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.928 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -88.62 -55.76 3.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 46.29 70.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.55 45.81 0.31 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -84.23 -2.21 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 111.021 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.3 m -126.12 146.49 49.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 108.344 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.92 174.01 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 48.1 39.92 12.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.217 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.26 86.56 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 175.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.02 149.24 17.41 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.5 160.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.29 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.78 139.6 31.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.327 -173.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.7 ttt -154.39 137.7 15.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 176.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' 28' ' ' SER . 11.7 t-80 -93.58 160.13 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 -174.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.749 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -124.54 162.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 174.46 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 25' ' ' SER . 9.1 mm-40 -124.41 173.87 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.1 t 88.43 -34.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mt -125.93 6.87 7.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 175.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 45.63 44.02 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -177.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.567 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.7 t -101.63 163.43 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.409 ' CG ' ' HD2' ' A' ' 22' ' ' HIS . 75.2 m-85 -118.49 154.8 31.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.749 ' HB ' HD11 ' A' ' 23' ' ' ILE . 14.2 t -147.81 -174.24 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.7 m -148.22 132.98 17.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.296 -175.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -83.66 120.69 26.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 174.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.18 -165.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.338 -173.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.485 ' O ' ' O ' ' A' ' 37' ' ' TYR . 4.2 m -134.76 171.26 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 -173.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.46 129.28 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 174.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . 96.87 -34.73 4.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.545 1.153 . . . . 0.0 111.099 -179.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.513 ' HA ' ' O ' ' A' ' 44' ' ' THR . 90.6 m-85 -119.32 141.88 48.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 0.79 . . . . 0.0 111.007 -175.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 p -164.81 173.79 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.96 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.61 165.96 11.88 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -50.44 -31.72 15.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.519 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 44.6 mtm-85 -113.11 -58.91 2.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.346 173.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 1.3 m 163.65 38.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 108.311 176.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -59.54 -60.55 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -170.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.1 m -46.69 144.51 2.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.16 . . . . 0.0 110.415 178.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.493 ' C ' ' O ' ' A' ' 36' ' ' GLY . 73.9 mtt180 -128.51 153.69 46.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -174.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.434 ' HA ' ' CA ' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -39.38 -30.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 177.729 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.464 ' N ' ' C ' ' A' ' 45' ' ' ARG . 4.0 mm? -72.45 64.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 173.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 166.45 82.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 110.333 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.61 -177.51 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.028 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.617 ' N ' ' CD1' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -150.39 -63.75 0.2 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 0.0 108.039 -174.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.06 -80.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.662 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -161.44 165.62 28.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 178.242 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.555 ' N ' HD22 ' A' ' 52' ' ' LEU . 16.4 tpt85 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 179.462 . . . . . . . . 1 1 . 1 stop_ save_