data_1afp_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 1afp _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.475 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.297 -0.631 . . . . 1.8300000000000001 109.297 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 m -64.09 143.01 58.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 1.5 110.416 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.475 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 6.2 m-30 -97.75 -163.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 3.77 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 8.1 m-80 -155.59 141.27 17.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 2.5600000000000001 109.331 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.81 -135.09 1.8 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.41999999999999998 111.003 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -146.98 160.01 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 3.4700000000000002 109.303 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 p -134.91 153.41 52.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.97999999999999998 108.334 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 17.3 m-30 -114.8 134.4 55.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 3.02 111.043 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -75.37 -48.35 23.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 2.8500000000000001 109.327 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 1.7 ttmt -54.76 -47.9 73.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 4.4500000000000002 109.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.446 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 73.3 m-20 -89.79 -6.14 56.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 3.3100000000000001 109.332 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.517 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.5 t-20 38.67 61.09 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 2.4100000000000001 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.521 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.0 pp -142.86 165.3 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 2.3399999999999999 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.526 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 2.5 t -123.48 110.81 15.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.27 108.312 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HG2' ' CG1' ' A' ' 25' ' ' ILE . 1.4 mtpm? -104.68 135.47 46.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 3.29 109.292 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.608 ' OH ' ' CD1' ' A' ' 42' ' ' PHE . 2.2 p90 -164.23 157.2 17.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 1.3999999999999999 111.039 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.96 109.27 18.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 5.1500000000000004 109.278 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.9299999999999999 109.306 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.305 -0.628 . . . . 3.29 109.305 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.487 ' CG1' ' HG2' ' A' ' 15' ' ' LYS . 1.4 mp -43.66 141.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 2.79 109.272 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' LYS . 42.4 t -146.91 108.98 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 1.3899999999999999 108.321 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -34.03 140.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 5.7199999999999998 109.328 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.432 ' CB ' ' ND2' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -76.55 77.25 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.6599999999999999 108.24 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.516 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 6.3 t80 -62.68 114.38 3.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 5.8799999999999999 110.955 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 74.54 146.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 4.54 109.302 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER 39.38 74.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 3.8599999999999999 109.269 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 33' ' ' CYS . 3.7 ttmt -40.68 160.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 5.4400000000000004 109.326 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -56.59 144.34 64.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 1.3200000000000001 108.298 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.01 -45.03 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.563 1.823 . . . . 0.85999999999999999 110.972 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -167.49 137.76 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 4.8399999999999999 110.301 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.35 132.04 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 2.9900000000000002 109.352 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.4 -19.9 52.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.54000000000000004 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.472 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -44.41 118.05 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 1.6499999999999999 109.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HE3' ' N ' ' A' ' 40' ' ' CYS . 1.6 tmpt? -62.67 146.98 50.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 3.8700000000000001 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.502 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -157.46 153.23 26.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 2.21 108.316 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' OE1' ' ND2' ' A' ' 4' ' ' ASN . 23.1 mt-10 -116.83 150.91 37.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 3.8700000000000001 110.322 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.608 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 75.8 t80 -106.45 99.38 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.22 110.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.586 ' CG ' ' CE1' ' A' ' 50' ' ' TYR . 1.7 m-20 -62.28 122.29 15.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 2.6899999999999999 109.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.2 p -90.84 24.73 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 2.1200000000000001 109.975 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -111.59 -24.18 10.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 5.9900000000000002 110.97 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -131.89 -51.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 4.9900000000000002 109.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.88 25.06 4.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 1.0700000000000001 111.029 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -148.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 3.73 109.305 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.414 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -159.23 70.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 2.6299999999999999 108.281 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.586 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 8.6 m-85 -45.89 95.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 1.96 111.038 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.526 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 50.7 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 2.4199999999999999 108.316 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.587 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.308 -0.627 . . . . 1.8600000000000001 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.93 126.87 31.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.5600000000000001 110.354 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 3.8 m-30 -85.55 -165.94 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 3.8399999999999999 110.972 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 4.5 m-80 -154.9 144.57 21.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 2.8500000000000001 109.241 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.38 -132.42 1.42 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.51000000000000001 111.012 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -144.55 166.55 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 2.8300000000000001 109.264 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' ALA . 5.8 p -142.18 154.1 44.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.96999999999999997 108.297 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 17.6 m-30 -114.27 141.0 48.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 2.9700000000000002 111.01 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -81.43 -47.91 12.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 2.8399999999999999 109.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -54.34 -38.21 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 5.7199999999999998 109.318 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 12' ' ' ASN . 1.5 m-20 -102.01 -7.57 22.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 2.4300000000000002 109.332 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.581 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 55.3 t30 38.35 58.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 2.4700000000000002 109.258 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.8 pp -136.61 162.2 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 1.8500000000000001 109.301 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' CYS . 12.6 t -115.82 111.71 20.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 1.25 108.289 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -109.11 131.5 55.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 3.4900000000000002 109.319 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.595 ' OH ' ' CD1' ' A' ' 42' ' ' PHE . 2.2 p90 -163.76 157.6 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 1.6799999999999999 111.002 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -85.58 109.67 18.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 4.5999999999999996 109.309 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 2.1699999999999999 109.297 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.346 -0.613 . . . . 3.1800000000000002 109.346 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 13' ' ' ILE . 1.5 mt -52.27 133.86 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 2.96 109.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' LYS . 4.9 t -138.38 108.81 6.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.74 108.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 20.7 ttmt -37.84 155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 5.0199999999999996 109.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -89.8 87.12 6.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 1.28 108.278 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.558 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 9.0 t80 -79.72 6.3 11.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 4.75 110.987 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.33 -139.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 4.9199999999999999 109.288 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -63.44 115.81 4.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 5.46 109.329 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' LYS . 18.9 ttpt -39.84 154.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 3.3199999999999998 109.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -69.81 147.19 96.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 1.45 108.334 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.05 -46.59 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.453 1.765 . . . . 0.73999999999999999 111.011 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.9 ptt85 -172.89 143.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 4.3799999999999999 110.318 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.55 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.1 t0 -37.03 134.33 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 2.77 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.85 -23.49 34.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.48999999999999999 111.021 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -41.62 120.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 1.5600000000000001 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.9 146.88 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 3.1299999999999999 109.267 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 14.8 t -152.16 162.01 41.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 2.1899999999999999 108.326 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -125.76 146.75 49.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 3.1099999999999999 110.318 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.595 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 46.9 t80 -108.23 107.58 18.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 1.26 111.027 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.91 124.94 26.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 3.6299999999999999 109.303 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.7 p -91.5 28.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.72 109.973 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.492 ' HH ' ' N ' ' A' ' 1' ' ' ALA . 0.9 OUTLIER -113.01 -24.85 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 6.5300000000000002 111.01 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -126.92 -54.38 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 4.1600000000000001 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.79 26.75 3.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 1.2 111.047 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -94.51 -165.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 7.0700000000000003 109.276 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -139.11 96.3 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 2.79 108.286 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -75.6 78.88 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 2.48 111.017 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 95.3 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 2.1099999999999999 108.316 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.443 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.281 -0.637 . . . . 1.6100000000000001 109.281 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.41 138.09 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.8700000000000001 110.393 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 18' ' ' ALA . 3.5 m-30 -98.01 -166.68 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 3.5899999999999999 110.984 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 4.0 m-80 -155.01 147.13 23.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 3.0699999999999998 109.304 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 6' ' ' LYS . . . -168.85 -127.93 0.96 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.64000000000000001 110.991 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' CG ' ' C ' ' A' ' 5' ' ' GLY . 51.7 mttt -150.26 165.83 31.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 2.5499999999999998 109.302 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.9 p -141.77 151.22 42.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.98999999999999999 108.317 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.674 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.2 m-30 -114.5 140.74 48.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 3.2599999999999998 110.979 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 12' ' ' ASN . 13.5 mttt -58.63 -73.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 5.3300000000000001 109.305 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.3 tttt -38.74 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 4.5099999999999998 109.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.452 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 15.6 m-20 -52.5 -21.47 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 2.4399999999999999 109.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.674 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 52.5 t30 38.86 56.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 2.4900000000000002 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.513 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.8 pp -130.63 172.77 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 1.8700000000000001 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 37.8 t -121.04 102.17 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 1.2 108.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -96.07 129.42 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 4.5499999999999998 109.315 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.595 ' OH ' ' CD1' ' A' ' 42' ' ' PHE . 2.0 p90 -162.36 163.77 27.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.4199999999999999 110.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 18' ' ' ALA . 1.2 tmtt? -95.65 100.48 12.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 4.2199999999999998 109.305 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 2.4700000000000002 109.286 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.327 -0.62 . . . . 3.4300000000000002 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.484 HG22 ' CD1' ' A' ' 13' ' ' ILE . 2.1 mt 60.64 142.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 2.8599999999999999 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' LYS . 43.4 t -160.44 108.44 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 1.3700000000000001 108.302 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.49 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -37.56 139.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 4.6399999999999997 109.293 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -72.34 75.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 1.3600000000000001 108.317 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.592 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 1.2 t80 -83.99 4.43 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 4.3899999999999997 110.983 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 48' ' ' LYS . 3.5 t -103.97 -64.54 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 6.0199999999999996 109.285 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 6.7 mttm -149.67 129.5 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 4.4199999999999999 109.324 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' LYS . 29.0 ttmt -39.79 157.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 4.3899999999999997 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -83.6 143.62 44.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 1.53 108.262 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.477 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 18.1 Cg_endo -75.01 -42.38 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.73999999999999999 110.992 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -178.29 147.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 4.79 110.282 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.61 133.29 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 3.5 109.293 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.81 -27.94 17.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.502 1.126 . . . . 0.68000000000000005 110.98 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.476 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -38.96 117.12 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 0.738 . . . . 1.5900000000000001 109.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 146.61 53.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 4.79 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 38.9 t -152.58 161.54 42.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 2.2599999999999998 108.314 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 7.6 pt-20 -125.14 149.65 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 3.8799999999999999 110.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.595 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 69.2 t80 -107.06 104.91 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 1.0700000000000001 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.607 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -67.77 135.53 52.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 2.6000000000000001 109.307 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 p -95.58 -16.96 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.8200000000000001 109.989 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -68.53 -9.21 47.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 8.0600000000000005 111.004 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 20.4 mtpt -148.8 -58.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 4.5599999999999996 109.288 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.2 49.16 0.41 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 1.1000000000000001 111.035 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -118.62 175.27 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 4.2800000000000002 109.263 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 14' ' ' CYS . 1.6 p -123.81 96.09 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 2.6000000000000001 108.271 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.405 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 21.2 m-85 -66.82 67.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 2.4900000000000002 110.968 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 3.6 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 1.6699999999999999 108.262 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.572 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.293 -0.632 . . . . 1.98 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.13 142.87 37.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 1.7 110.43 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 2.8 m-30 -103.3 -169.46 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 3.04 110.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 13.1 m120 -150.92 147.0 26.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.99 109.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -170.63 -135.76 1.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.52000000000000002 111.014 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -147.18 156.73 43.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 0.777 . . . . 2.5 109.291 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -126.21 159.21 33.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 1.0 108.256 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.5 m-30 -114.03 150.8 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 2.9300000000000002 111.025 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 34' ' ' PRO . 3.7 mttt -81.39 -62.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 4.8399999999999999 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -46.97 -56.77 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 4.5700000000000003 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' ASN . 29.5 m-20 -75.51 -13.3 60.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 2.6400000000000001 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.616 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 47.0 t30 38.51 54.21 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 2.52 109.29 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.503 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.3 pp -133.69 177.7 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 1.8 109.337 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 26' ' ' CYS . 1.0 OUTLIER -128.53 118.74 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.3899999999999999 108.275 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HG2' ' CG1' ' A' ' 25' ' ' ILE . 23.7 mtpt -111.64 133.99 53.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 4.0499999999999998 109.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.601 ' CE2' ' CB ' ' A' ' 42' ' ' PHE . 1.8 p90 -162.67 156.88 21.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 1.48 111.001 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -86.43 107.17 17.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 4.7800000000000002 109.265 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 2.0800000000000001 109.32 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.465 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.263 -0.644 . . . . 3.2200000000000002 109.263 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.522 ' CG1' ' HG2' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -52.85 130.7 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 2.9700000000000002 109.334 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' CYS . 8.6 t -130.18 100.79 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.3799999999999999 108.325 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 2.4 ptpt -40.86 149.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 4.6100000000000003 109.258 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -65.0 -154.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 2.3399999999999999 108.28 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.544 ' CD1' HG22 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -178.16 98.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 5.6699999999999999 111.002 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.544 HG22 ' CD1' ' A' ' 29' ' ' TYR . 1.7 t 70.56 -71.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 5.2199999999999998 109.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.77 72.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 5.1100000000000003 109.276 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' VAL . 11.0 ttpt -41.73 151.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 3.52 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 8' ' ' TYR . 13.2 m -63.66 147.54 95.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 3.2400000000000002 108.301 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.502 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.90000000000000002 111.006 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 173.97 147.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 4.9199999999999999 110.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.572 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 5.2 t70 -40.38 142.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 2.8700000000000001 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.28 -28.6 7.93 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.82999999999999996 111.019 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.502 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -40.93 115.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 1.5600000000000001 109.261 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -65.64 145.01 56.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 2.9100000000000001 109.336 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -155.12 160.05 40.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 2.1699999999999999 108.278 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 4.9 pt-20 -126.21 146.27 50.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 4.5899999999999999 110.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.601 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 70.7 t80 -102.91 110.15 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.21 111.021 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.624 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -74.75 136.09 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 2.8700000000000001 109.32 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 p -94.09 -18.77 21.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 2.0299999999999998 110.02 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.624 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -76.1 -8.36 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 6.7999999999999998 110.992 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 62.8 mttt -152.71 -63.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 3.5699999999999998 109.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.01 67.79 1.13 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 1.5600000000000001 111.015 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 13.1 mmtp -117.21 10.94 13.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 4.6900000000000004 109.298 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 43.06 77.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 3.0699999999999998 108.292 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -59.12 87.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 2.0600000000000001 111.035 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.95 108.299 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.423 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.326 -0.62 . . . . 1.9399999999999999 109.326 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.462 HG23 ' CB ' ' A' ' 41' ' ' GLU . 4.1 m -68.51 138.72 55.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 1.48 110.375 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.485 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 4.8 m-30 -92.29 179.52 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 3.6699999999999999 110.999 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.402 ' OD1' ' OE2' ' A' ' 41' ' ' GLU . 3.8 m-80 -140.46 137.49 33.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 2.3199999999999998 109.309 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.01 -139.06 2.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.39000000000000001 111.015 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -147.83 156.78 43.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 3.2799999999999998 109.303 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.41 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -127.54 155.79 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 1.1000000000000001 108.302 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.581 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 18.1 m-85 -105.93 169.22 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 3.5899999999999999 111.018 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -92.57 -69.78 0.73 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 3.8999999999999999 109.257 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -42.17 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 4.3700000000000001 109.319 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' ASN . 3.7 m-20 -59.12 -16.53 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 3.21 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.567 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 63.9 t30 37.38 63.47 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 2.8199999999999998 109.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.518 ' C ' ' CD1' ' A' ' 13' ' ' ILE . 1.7 pp -131.5 168.28 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 1.8999999999999999 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' CYS . 1.2 m -114.5 110.12 19.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 2.1200000000000001 108.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.4 ' HD2' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -107.76 129.28 55.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 3.8700000000000001 109.318 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.609 ' OH ' ' CD1' ' A' ' 42' ' ' PHE . 1.8 p90 -161.09 158.31 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 1.3899999999999999 111.012 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -87.34 105.32 17.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 4.0300000000000002 109.259 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 2.1000000000000001 109.314 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.287 -0.634 . . . . 3.2599999999999998 109.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.473 HG22 ' CD1' ' A' ' 13' ' ' ILE . 1.6 mt -49.42 139.63 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 3.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 14' ' ' CYS . 4.0 t -146.16 111.79 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 1.95 108.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 18.0 ttpt -36.66 154.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 5.4900000000000002 109.294 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.63 85.13 6.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.3799999999999999 108.292 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.578 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 3.1 t80 -79.09 5.11 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 4.3200000000000003 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -115.28 -139.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 5.3499999999999996 109.331 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.12 118.07 10.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 4.5800000000000001 109.278 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.53 153.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 4.0499999999999998 109.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 1.9 t -74.27 140.09 76.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 1.48 108.352 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -29.52 8.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 0.93999999999999995 111.011 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER 172.49 140.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 5.8600000000000003 110.277 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.581 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -36.07 137.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 3.46 109.315 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.4 -28.25 16.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.77000000000000002 110.963 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.526 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.83 118.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 1.46 109.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -63.99 150.58 44.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 3.5499999999999998 109.264 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 1.9 p -153.86 152.97 31.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 2.27 108.248 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' CB ' HG23 ' A' ' 2' ' ' THR . 1.3 mm-40 -122.84 129.76 52.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 3.7799999999999998 110.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.609 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 71.3 t80 -92.76 101.52 13.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.1200000000000001 111.016 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.587 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -64.47 129.65 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 2.9100000000000001 109.305 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 p -96.81 21.39 9.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 1.72 110.009 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.625 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -104.53 -25.89 12.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 5.8600000000000003 111.021 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -126.39 -53.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 4.8499999999999996 109.315 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.82 32.64 1.85 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 1.1899999999999999 111.007 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.99 170.79 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 5.4000000000000004 109.277 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.09 96.86 5.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 2.9399999999999999 108.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -69.77 61.88 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 2.3199999999999998 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.7 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.8600000000000001 108.3 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.459 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.322 -0.621 . . . . 1.77 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 m -63.0 134.12 55.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 1.4399999999999999 110.383 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.474 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 6.3 m-30 -89.22 -164.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 3.71 110.95 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 8.7 m-80 -155.77 148.25 23.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 2.73 109.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 6' ' ' LYS . . . -172.05 -132.08 1.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.40999999999999998 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.402 ' CG ' ' C ' ' A' ' 5' ' ' GLY . 26.2 mttt -148.89 160.53 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 2.9500000000000002 109.322 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.453 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -134.04 158.31 43.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.1299999999999999 108.303 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 17.6 m-30 -114.15 169.24 9.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 2.8900000000000001 111.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 1.1 ptpt -99.48 -56.64 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 3.3199999999999998 109.283 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.37 -56.46 8.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 4.4299999999999997 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -81.07 -14.91 57.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 2.4300000000000002 109.329 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.54 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 12.6 t30 40.29 61.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 2.9900000000000002 109.315 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.517 ' C ' ' CD1' ' A' ' 13' ' ' ILE . 1.7 pp -135.91 179.83 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.8799999999999999 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.7 OUTLIER -127.88 112.85 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 1.49 108.291 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -108.82 131.9 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 3.5899999999999999 109.26 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.595 ' OH ' ' CD1' ' A' ' 42' ' ' PHE . 1.9 p90 -161.17 158.44 27.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.72 111.066 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -86.68 106.08 17.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 4.7599999999999998 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 2.0899999999999999 109.265 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.299 -0.63 . . . . 3.1899999999999999 109.299 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.479 HG22 ' CD1' ' A' ' 13' ' ' ILE . 1.6 mt -50.02 141.57 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 2.9500000000000002 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.2 t -148.67 112.6 5.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 2.1299999999999999 108.273 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 13.7 mttt -35.61 150.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 4.7199999999999998 109.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -75.15 -150.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 2.2200000000000002 108.295 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.511 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -150.12 -147.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 4.3700000000000001 111.001 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -41.61 78.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 5.4100000000000001 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.939 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 7.9 mttt -84.48 71.0 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 5.1799999999999997 109.286 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 31' ' ' LYS . 12.4 mtmt -43.99 167.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 3.8300000000000001 109.316 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 2.0 t -79.53 139.09 54.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.45 108.297 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.506 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.05 -36.15 2.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.92000000000000004 110.975 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HA ' ' CE ' ' A' ' 9' ' ' LYS . 1.1 ptm180 -175.98 141.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 6.1900000000000004 110.346 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.568 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.79 135.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 3.0600000000000001 109.283 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 102.58 -28.67 14.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.555 1.159 . . . . 0.65000000000000002 110.978 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.506 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -38.62 120.14 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 1.4399999999999999 109.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -66.42 150.7 48.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 4.04 109.262 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.43 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 5.8 p -156.97 170.43 22.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 2.1699999999999999 108.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -134.15 156.28 48.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 4.1900000000000004 110.27 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.595 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 58.6 t80 -111.78 96.43 6.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.3500000000000001 110.991 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.523 ' OD2' ' CE2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -58.43 127.31 31.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 2.4700000000000002 109.298 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.7 p -92.79 6.57 47.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.8999999999999999 109.98 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.595 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -86.95 -33.33 19.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 5.5599999999999996 110.963 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -127.35 -48.06 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 4.2300000000000004 109.261 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.77 26.47 3.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 1.3 110.976 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.511 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -77.04 -171.2 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 6.3700000000000001 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -142.32 84.96 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 3.3599999999999999 108.308 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -51.25 170.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 2.9300000000000002 111.012 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.939 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 2.7599999999999998 108.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.506 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.305 -0.628 . . . . 2.1400000000000001 109.305 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -79.06 128.22 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 1.54 110.361 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 2.8 m-30 -88.73 -172.34 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 3.71 110.988 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 0.8 OUTLIER -145.6 137.02 25.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 2.4900000000000002 109.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.42 -139.82 2.72 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.44 110.972 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -144.03 161.13 39.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 3.5699999999999998 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 38' ' ' ALA . 1.3 p -130.93 153.31 49.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 108.283 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.554 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.8 m-30 -113.46 136.67 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 2.9300000000000002 110.995 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -77.52 -47.89 18.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 2.8900000000000001 109.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -53.62 -43.59 68.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 4.4299999999999997 109.299 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.427 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -96.01 -7.54 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 2.8599999999999999 109.319 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 59.7 t30 38.33 59.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 2.4900000000000002 109.286 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.493 ' C ' ' CD1' ' A' ' 13' ' ' ILE . 1.7 pp -134.91 177.57 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 2.02 109.302 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.075 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -127.0 107.51 10.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 2.04 108.288 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -105.43 130.54 53.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 3.79 109.334 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.601 ' CE2' ' CG ' ' A' ' 42' ' ' PHE . 2.2 p90 -162.96 159.65 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.95 111.023 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -86.58 110.14 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 4.7599999999999998 109.341 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 2.0699999999999998 109.325 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.314 -0.624 . . . . 3.27 109.314 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 13' ' ' ILE . 1.4 mt -48.01 134.57 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 3.3300000000000001 109.298 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' LYS . 22.9 t -140.26 109.03 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.77 108.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 1.4 ptpt -36.55 147.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 4.7000000000000002 109.314 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.53 -155.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 2.2400000000000002 108.312 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -178.16 100.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 4.8099999999999996 111.015 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.438 ' CG2' ' CD1' ' A' ' 29' ' ' TYR . 1.3 t 67.37 -71.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 4.8399999999999999 109.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' TYR . 1.1 tttp -70.85 69.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 4.5199999999999996 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 33' ' ' CYS . 19.0 ttpt -40.47 153.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 3.4500000000000002 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -65.65 144.29 98.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 1.3 108.276 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.49 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -45.16 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.77000000000000002 111.016 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -176.35 143.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 4.4500000000000002 110.276 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.554 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.3 t70 -39.25 136.69 0.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 2.9300000000000002 109.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.94 -24.0 30.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.56000000000000005 111.001 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.49 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -44.63 118.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 1.8100000000000001 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.493 ' CE ' ' OE2' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -62.36 147.95 46.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 3.3399999999999999 109.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.414 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 1.8 p -154.65 146.61 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 2.3399999999999999 108.356 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.493 ' OE2' ' CE ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -116.5 129.92 56.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 3.8900000000000001 110.25 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.601 ' CG ' ' CE2' ' A' ' 16' ' ' TYR . 65.0 t80 -89.37 104.31 16.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 1.1000000000000001 110.972 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.598 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 1.7 t0 -70.27 130.07 41.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 3.2599999999999998 109.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 p -95.53 -3.6 46.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.8 109.957 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.598 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -73.76 -11.41 60.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 7.9100000000000001 111.039 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.534 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 16.1 mttt -143.66 -57.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 4.0499999999999998 109.355 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.97 36.72 0.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 1.4199999999999999 110.986 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' CE ' ' HB3' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -111.34 179.91 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 5.96 109.28 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.97 94.4 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 2.6699999999999999 108.298 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.76 74.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 2.04 111.025 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 1.075 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.8799999999999999 108.265 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.455 ' N ' ' OH ' ' A' ' 45' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.276 -0.639 . . . . 1.77 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m -52.75 141.38 21.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 1.5700000000000001 110.364 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.449 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 16.3 m-30 -96.01 -166.36 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 2.8300000000000001 111.014 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 7.0 m120 -149.67 135.04 18.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 2.1299999999999999 109.347 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -163.66 -139.71 2.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.39000000000000001 110.999 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -141.09 164.79 29.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 3.4399999999999999 109.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 1.6 p -138.39 156.32 47.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.97999999999999998 108.253 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.51 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 39.2 m-85 -116.09 137.22 52.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 3.0099999999999998 111.013 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -77.64 -48.87 15.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 2.7799999999999998 109.282 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 15.4 tttt -54.04 -44.46 71.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 4.4400000000000004 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.79 -14.21 32.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 2.8199999999999998 109.308 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 2.4 t-20 46.66 53.33 10.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 2.23 109.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.463 ' CD1' HG22 ' A' ' 25' ' ' ILE . 2.0 pp -136.6 174.66 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 1.77 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' HD11 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -129.87 122.41 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.3500000000000001 108.316 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.472 ' HD3' ' CE2' ' A' ' 8' ' ' TYR . 1.6 pttp -115.47 137.3 52.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 5.6200000000000001 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.552 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 1.6 p90 -159.91 160.97 34.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.51 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -89.02 103.3 15.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 4.9100000000000001 109.331 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 2.0299999999999998 109.291 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.315 -0.624 . . . . 3.2999999999999998 109.315 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.463 HG22 ' CD1' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -50.05 134.92 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 3.3500000000000001 109.253 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 27' ' ' LYS . 20.9 t -140.95 110.33 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 1.79 108.31 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 26' ' ' CYS . 15.0 mtpt -33.29 146.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 5.2400000000000002 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.633 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -82.92 -167.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 2.0699999999999998 108.289 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.33 -149.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 4.79 110.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 t -50.66 -29.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 4.7400000000000002 109.306 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.559 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 12.4 mmtt -86.48 57.01 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 5.0800000000000001 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.6 ttmt -39.44 154.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 4.0700000000000003 109.304 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 5.4 t -69.89 140.41 88.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 1.21 108.288 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.488 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.789 . . . . 0.81000000000000005 111.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.5 ptt85 -170.05 139.85 1.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 4.5499999999999998 110.299 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.51 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -35.75 134.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 2.9399999999999999 109.322 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.69 -22.26 36.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.5 111.059 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.488 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -43.32 120.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 1.3799999999999999 109.32 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -66.36 146.39 54.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 3.5099999999999998 109.306 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 1.6 p -155.72 158.01 37.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 2.1200000000000001 108.312 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -119.13 139.61 51.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 3.96 110.304 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.502 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 79.4 t80 -97.74 103.58 15.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 1.1599999999999999 111.004 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.571 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 4.0 t70 -64.5 121.62 14.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 3.23 109.329 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.7 p -90.7 19.57 5.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 1.7 109.972 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.628 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -111.31 -23.74 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 6.0800000000000001 111.008 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -132.99 -48.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 4.5700000000000003 109.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.66 7.84 13.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.147 . . . . 1.48 111.011 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 137.47 37.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 3.8900000000000001 109.295 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.587 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 77.2 m -90.08 95.27 10.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 2.9300000000000002 108.275 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -60.45 100.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 1.9199999999999999 111.012 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.633 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 2.3500000000000001 108.286 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.303 -0.628 . . . . 1.8600000000000001 109.303 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.76 134.58 35.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 1.6299999999999999 110.382 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.554 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 8.7 m-85 -90.85 -174.41 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 2.79 110.993 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -153.4 142.7 21.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 2.9100000000000001 109.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -170.36 -128.44 1.02 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.552 1.157 . . . . 0.65000000000000002 110.958 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.464 ' C ' ' NZ ' ' A' ' 15' ' ' LYS . 12.0 mttm -142.03 166.68 24.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 2.8100000000000001 109.251 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.967 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.7 p -143.34 151.88 40.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.02 108.311 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 17.4 m-30 -114.55 136.6 52.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 3.1800000000000002 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.482 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -76.72 -48.65 18.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 3.1200000000000001 109.301 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 15.3 tttm -54.25 -45.56 72.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 3.6299999999999999 109.328 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.438 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 18.9 m-20 -90.38 -10.5 43.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 3.1699999999999999 109.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 2.6 t-20 39.84 63.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 2.27 109.297 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.623 ' CD1' ' CE ' ' A' ' 15' ' ' LYS . 2.2 pp -140.99 176.76 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 2.1400000000000001 109.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -129.93 110.52 11.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 1.77 108.329 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.623 ' CE ' ' CD1' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -99.02 135.49 40.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 6.8399999999999999 109.307 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.521 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 2.2 p90 -164.9 157.19 15.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 1.6599999999999999 110.957 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 101.36 13.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 4.1799999999999997 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.95 109.303 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.298 -0.63 . . . . 3.8100000000000001 109.298 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.446 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 1.5 mt 60.75 136.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 3.02 109.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' LYS . 52.2 t -157.68 109.51 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.8100000000000001 108.316 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -37.42 141.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 6.2800000000000002 109.334 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -73.81 -162.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 2.3100000000000001 108.295 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -178.35 122.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 5.6399999999999997 110.991 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t 69.19 -70.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 4.0 109.337 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -80.03 58.47 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 4.9299999999999997 109.321 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LYS . 16.1 ttmt -39.11 156.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 4.9800000000000004 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 7' ' ' CYS . 1.8 m -68.16 140.52 93.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 3.3500000000000001 108.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.496 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -57.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.501 1.79 . . . . 1.1100000000000001 111.006 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.407 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 3.2 ptt180 -158.05 146.06 18.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 4.1500000000000004 110.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.561 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.05 135.4 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 2.6499999999999999 109.289 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 94.49 -27.48 13.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.431 1.082 . . . . 0.60999999999999999 110.996 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.496 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -39.54 123.95 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 1.6399999999999999 109.277 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.24 147.2 44.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 3.2999999999999998 109.331 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 1.357 ' SG ' ' HA ' ' A' ' 51' ' ' CYS . 6.9 t -154.73 170.69 21.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 2.5800000000000001 108.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 11.1 pt-20 -133.87 148.55 51.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 3.8799999999999999 110.297 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.554 ' CD2' ' CE2' ' A' ' 3' ' ' TYR . 55.6 t80 -106.18 106.92 17.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.1699999999999999 110.962 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.433 ' HB3' ' CD2' ' A' ' 45' ' ' TYR . 1.9 m-20 -72.89 129.56 38.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 3.0499999999999998 109.302 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.1 p -92.91 11.9 25.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 2.2799999999999998 109.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 3.6 m-85 -90.05 -33.06 16.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 6.1600000000000001 111.01 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -124.94 -50.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 4.1699999999999999 109.295 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.42 23.16 4.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.159 . . . . 1.03 110.976 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -97.75 177.19 5.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 6.6900000000000004 109.282 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.76 97.22 6.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 2.3999999999999999 108.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.438 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 14.7 m-85 -71.91 56.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 2.1400000000000001 111.053 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 1.357 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 2.7999999999999998 108.274 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.518 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 1.8200000000000001 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -79.25 143.36 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 1.52 110.363 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.62 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 2.3 m-30 -100.44 -179.31 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 3.2400000000000002 111.056 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -147.87 150.05 33.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 2.8300000000000001 109.307 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.82 -148.37 8.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.46999999999999997 110.98 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -134.96 156.47 48.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 2.5699999999999998 109.262 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -119.4 150.54 40.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 1.01 108.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 16.0 m-30 -113.08 131.79 55.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 2.9100000000000001 111.007 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.445 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -60.06 -63.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 4.75 109.314 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -72.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 4.5999999999999996 109.317 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' ASN . 1.7 t0 -62.71 -13.9 37.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 3.3300000000000001 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.566 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 49.3 t30 37.95 60.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 2.5699999999999998 109.328 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.7 pp -134.92 -175.98 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 2.3300000000000001 109.348 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -128.98 105.72 8.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 2.21 108.333 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -88.48 139.34 30.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 4.1200000000000001 109.276 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.541 ' CE2' ' HB1' ' A' ' 24' ' ' ALA . 53.5 p90 -166.29 163.49 17.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 1.5900000000000001 110.961 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -88.22 130.83 34.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 5.8300000000000001 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 1.9199999999999999 109.296 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.541 ' HB1' ' CE2' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.29 -0.633 . . . . 3.96 109.29 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.465 ' CG2' HD11 ' A' ' 13' ' ' ILE . 11.6 mt -97.71 141.15 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 2.5699999999999998 109.249 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.2 t -139.3 103.71 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 1.46 108.296 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.7 OUTLIER -40.77 149.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 1.136 . . . . 7.1900000000000004 109.336 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.779 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -63.59 -150.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.98 108.287 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.47 ' CE2' ' HD2' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -156.7 -147.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 4.8700000000000001 111.024 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.1 t -54.66 -27.48 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 5.5199999999999996 109.289 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 73.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 4.9100000000000001 109.307 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -40.8 153.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 3.5299999999999998 109.298 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 1.7 t -53.48 141.31 44.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 1.27 108.332 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.514 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.96 -39.69 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 0.98999999999999999 111.036 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.5 139.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 5.04 110.276 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.575 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 14.2 t70 -39.59 137.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 3.1499999999999999 109.353 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.15 -23.1 34.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 0.65000000000000002 110.978 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.514 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -49.4 117.44 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 1.8799999999999999 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 148.83 30.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 3.0800000000000001 109.297 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 p -156.87 162.12 39.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 2.3799999999999999 108.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 2.1 pm0 -143.0 145.37 32.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 3.4500000000000002 110.246 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' A' ' 3' ' ' TYR . 62.6 t80 -101.39 106.1 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 1.71 111.053 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.9 127.99 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 3.23 109.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.8 p -86.32 5.84 32.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 2.1699999999999999 109.976 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.612 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -82.25 -35.99 27.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 6.2199999999999998 110.974 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -117.0 -48.69 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 5.8300000000000001 109.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.432 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . . . 116.06 14.26 7.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 1.7 110.98 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -102.09 149.16 24.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 6.5700000000000003 109.317 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -96.57 85.94 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 4.2699999999999996 108.277 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -44.61 103.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 2.0699999999999998 110.979 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.779 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.8100000000000001 108.304 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.585 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.341 -0.614 . . . . 2.1800000000000002 109.341 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -70.08 143.9 52.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 1.5900000000000001 110.369 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 3.7 m-30 -102.43 -166.79 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 2.9399999999999999 110.992 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 1.9 m120 -139.61 158.34 44.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 2.48 109.259 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.402 ' C ' ' CD ' ' A' ' 6' ' ' LYS . . . 172.57 -158.74 29.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 0.57999999999999996 111.002 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.423 ' N ' ' CD ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -131.31 166.48 21.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 3.8900000000000001 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.52 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 1.7 p -136.48 171.76 14.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.98999999999999999 108.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.585 ' CD1' ' HE3' ' A' ' 15' ' ' LYS . 4.4 m-85 -140.11 148.01 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 2.4500000000000002 111.017 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' ASP . 2.0 ptmt -84.78 -58.94 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 3.04 109.32 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.83 -27.94 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 6.4699999999999998 109.27 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' LYS . 36.1 t0 -108.28 -24.13 11.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 3.0600000000000001 109.324 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' TYR . 5.6 t-20 53.11 51.75 15.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 2.3300000000000001 109.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.49 HD12 ' CE ' ' A' ' 15' ' ' LYS . 2.3 pp -138.24 176.75 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.79 109.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' CYS . 2.1 t -132.73 124.46 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.3700000000000001 108.298 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 8' ' ' TYR . 11.2 mttt -112.18 142.2 44.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 5.0999999999999996 109.271 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.583 ' OH ' ' CD1' ' A' ' 42' ' ' PHE . 2.8 p90 -168.82 154.47 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 1.48 111.0 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -85.56 110.97 19.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 4.04 109.299 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 2.0600000000000001 109.259 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.576 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.325 -0.62 . . . . 3.3300000000000001 109.325 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.543 ' N ' ' CD1' ' A' ' 25' ' ' ILE . 1.4 mm -55.75 146.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 3.5699999999999998 109.288 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' CYS . 8.8 t -149.47 108.65 3.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.6799999999999999 108.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 21.4 ttmt -37.02 154.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 5.0300000000000002 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.656 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 10.1 m -99.69 110.72 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 1.3700000000000001 108.336 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.548 ' CD1' HG11 ' A' ' 30' ' ' VAL . 3.6 t80 -94.13 124.38 38.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 5.7699999999999996 111.007 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.548 HG11 ' CD1' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 73.74 146.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 4.2199999999999998 109.307 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER 39.77 81.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 5.1299999999999999 109.327 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.99 164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 5.5499999999999998 109.268 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -57.23 145.31 67.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 1.4399999999999999 108.264 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.459 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.98 -42.58 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 1.0800000000000001 110.972 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.8 ptt180 -173.77 139.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 4.4800000000000004 110.338 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.454 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -38.15 133.03 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.8900000000000001 109.327 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.47 -19.82 50.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.449 1.093 . . . . 0.64000000000000001 110.987 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -41.13 120.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 1.47 109.314 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -65.3 148.87 50.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 3.3399999999999999 109.251 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -158.44 168.41 27.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 2.2200000000000002 108.337 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 9.3 pt-20 -134.33 148.89 50.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 4.04 110.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.583 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 75.7 t80 -102.51 107.64 18.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 1.4099999999999999 111.002 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.05 128.9 35.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 2.9100000000000001 109.297 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 p -91.45 28.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 2.0899999999999999 110.072 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -114.18 -23.6 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 5.8099999999999996 111.017 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -130.41 -53.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 3.71 109.301 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.13 18.61 6.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 1.24 110.933 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -85.35 -168.13 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 0.752 . . . . 4.0700000000000003 109.283 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.555 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.8 m -142.18 85.11 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 2.7999999999999998 108.291 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -53.49 109.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 2.1699999999999999 110.957 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.656 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.8100000000000001 108.274 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.283 -0.636 . . . . 2.3300000000000001 109.283 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.02 147.47 24.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 1.8400000000000001 110.425 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 19.6 m-30 -102.9 -174.77 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 3.1000000000000001 110.993 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 5.9 m120 -145.35 149.28 34.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.8899999999999999 109.283 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.06 -129.68 1.18 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.59999999999999998 110.974 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 18.1 mttm -149.04 159.92 43.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 2.9399999999999999 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 38' ' ' ALA . 1.3 p -128.98 155.19 45.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 1.04 108.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 38.8 m-85 -114.23 134.29 55.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 3.3100000000000001 111.002 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.484 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 8.4 ptmt -75.62 -48.51 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 3.4300000000000002 109.306 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 14.6 tttt -51.61 -48.84 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 4.4100000000000001 109.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' ASN . 0.4 OUTLIER -90.92 -8.13 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 3.4199999999999999 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.525 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 59.9 t30 39.95 58.87 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 2.5499999999999998 109.303 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.1 pp -133.1 175.67 10.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 1.98 109.266 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER -127.65 112.37 14.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 2.4300000000000002 108.31 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -99.3 153.61 18.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 3.7200000000000002 109.295 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.669 ' CZ ' ' CD1' ' A' ' 42' ' ' PHE . 38.4 p90 -177.88 160.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.77 111.017 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -78.76 122.78 26.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 4.8700000000000001 109.326 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 2.1499999999999999 109.298 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.499 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 4.4900000000000002 109.302 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.464 HG22 ' CD1' ' A' ' 13' ' ' ILE . 1.2 mt -107.9 144.54 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 2.6099999999999999 109.357 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.4 t -141.16 102.26 4.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.9199999999999999 108.32 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 4.2 ptmt -43.26 139.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 6.3200000000000003 109.303 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -67.7 113.62 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 1.9199999999999999 108.283 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -110.33 11.29 23.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 4.96 111.006 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -132.09 -105.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 4.5099999999999998 109.258 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.84 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -87.14 107.48 18.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 5.5 109.278 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 23.5 ttpt -40.11 154.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 4.2400000000000002 109.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -71.38 144.71 89.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 1.3200000000000001 108.305 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.04 -41.86 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.511 1.795 . . . . 0.91000000000000003 110.979 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.463 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 3.8 ptt180 178.39 149.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 4.0999999999999996 110.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.3 t0 -44.44 135.93 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 3.6099999999999999 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' OD1' ' A' ' 36' ' ' ASP . . . 99.26 -30.15 10.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.67000000000000004 111.003 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.476 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -41.61 117.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 1.4099999999999999 109.267 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -60.63 148.59 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 4.7300000000000004 109.318 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 2.5 p -161.2 154.69 21.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 2.29 108.28 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 3.6 pt-20 -117.69 152.68 34.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 4.9100000000000001 110.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.669 ' CD1' ' CZ ' ' A' ' 16' ' ' TYR . 42.3 t80 -115.66 110.01 18.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 1.1799999999999999 111.001 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.61 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 5.3 t70 -58.81 139.06 56.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 3.9500000000000002 109.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.2 p -109.59 21.94 16.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 2.5800000000000001 109.983 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.61 ' CD2' ' OD1' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -111.23 -21.04 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 5.75 110.986 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -135.34 -54.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 4.9199999999999999 109.314 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.48 45.07 0.53 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 1.1100000000000001 110.965 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -109.46 167.59 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.751 . . . . 5.8799999999999999 109.283 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' CB ' ' HB2' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -115.08 101.48 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 2.4900000000000002 108.281 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -80.36 64.99 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.8100000000000001 111.041 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.84 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 2.9300000000000002 108.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.331 -0.618 . . . . 2.0 109.331 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.91 135.99 57.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 1.99 110.347 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.429 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 20.5 m-85 -96.52 -172.13 2.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 3.02 110.992 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 0.6 OUTLIER -145.01 124.48 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 2.1299999999999999 109.298 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.38 -139.81 3.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.68999999999999995 111.025 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -147.09 158.64 44.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 3.02 109.328 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -134.4 156.93 47.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.26 108.284 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.577 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 15.3 m-30 -109.59 171.28 7.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 2.77 111.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -107.68 -47.51 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 3.0299999999999998 109.257 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 7.6 tttt -53.98 -54.31 40.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 3.8100000000000001 109.251 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER -91.66 -5.75 53.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 3.1600000000000001 109.324 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.545 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 10.2 t30 38.72 65.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 3.04 109.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.571 HD13 ' CD2' ' A' ' 8' ' ' TYR . 2.4 pp -132.95 175.06 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 2.3100000000000001 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -131.58 106.43 8.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 1.5700000000000001 108.343 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 9.6 mtpt -97.28 135.07 39.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 3.6699999999999999 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.622 ' CE2' ' CG ' ' A' ' 42' ' ' PHE . 3.3 p90 -169.44 165.99 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.6499999999999999 110.99 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -92.75 137.69 32.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 4.8600000000000003 109.327 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 2.6400000000000001 109.301 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.268 -0.642 . . . . 3.3999999999999999 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 1.6 mt 61.76 136.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 2.7000000000000002 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.527 ' O ' ' C ' ' A' ' 27' ' ' LYS . 3.9 t -160.15 113.74 2.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 1.97 108.32 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 26' ' ' CYS . 7.7 mttt -30.96 143.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 4.6699999999999999 109.31 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 14.3 m -71.58 62.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.8200000000000001 108.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.521 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 7.3 t80 -44.49 117.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 5.1900000000000004 110.986 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.521 ' CG1' ' C ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 73.48 146.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 4.8600000000000003 109.283 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.6 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 4.9199999999999999 109.323 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 27.6 ttmt -137.09 147.72 46.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 3.48 109.291 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.663 ' HA ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -70.12 144.9 93.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 1.6399999999999999 108.268 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.515 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.4 Cg_endo -74.99 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 1.0900000000000001 111.036 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -166.37 143.61 5.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 5.04 110.27 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.577 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.63 133.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 2.7000000000000002 109.312 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 104.11 -27.16 20.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.57999999999999996 111.023 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -37.64 119.82 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.794 . . . . 1.4399999999999999 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 8.0 tttt -70.52 150.85 45.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 4.9900000000000002 109.329 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.1 t -154.38 162.71 41.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 2.5699999999999998 108.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -123.41 121.41 35.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 3.7000000000000002 110.332 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CG ' ' CE2' ' A' ' 16' ' ' TYR . 53.1 t80 -85.65 110.83 19.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 1.27 111.004 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.607 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -64.15 126.6 28.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 2.7599999999999998 109.291 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.9 p -88.85 -20.17 24.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 2.54 109.957 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -68.54 -9.73 51.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 7.5700000000000003 110.955 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 46.6 mttt -151.53 -62.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 4.0300000000000002 109.28 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.75 45.76 0.33 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.501 1.126 . . . . 1.6000000000000001 111.024 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 174.83 5.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 0.733 . . . . 4.8899999999999997 109.275 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.23 112.19 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 2.6299999999999999 108.325 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.432 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 28.1 m-85 -95.33 63.6 2.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 2.0800000000000001 110.968 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.663 ' SG ' ' HA ' ' A' ' 33' ' ' CYS . 4.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 3.4500000000000002 108.336 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.531 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.3 -0.63 . . . . 1.6699999999999999 109.3 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 m -71.89 150.45 44.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 1.45 110.393 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.555 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 4.9 m-30 -108.5 -169.58 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 2.8500000000000001 110.983 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 9.0 m-80 -154.9 154.05 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 2.79 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.95 -133.65 2.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.51000000000000001 111.024 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 57.7 mttt -144.9 162.5 36.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 2.5499999999999998 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -136.58 160.68 38.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.97999999999999998 108.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 21.0 m-30 -118.75 164.36 15.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 3.54 110.985 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -79.3 -77.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 4.3499999999999996 109.288 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' LYS . 6.6 ttmt -40.18 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 4.3899999999999997 109.271 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' ASN . 8.8 m-20 -53.88 -26.02 22.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 3.5099999999999998 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.571 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 5.1 t-20 38.74 59.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 2.3199999999999998 109.268 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.51 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.2 pp -132.17 -179.81 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 2.0699999999999998 109.272 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' CYS . 35.1 t -126.47 107.93 10.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.28 108.309 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.475 ' HG3' ' CD1' ' A' ' 13' ' ' ILE . 5.7 mtpp -95.06 134.01 38.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 3.77 109.286 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.516 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 2.3 p90 -163.95 157.08 18.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.5 111.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 18' ' ' ALA . 1.1 tmtt? -92.56 97.36 10.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 4.5700000000000003 109.283 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.99 109.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.286 -0.635 . . . . 3.8199999999999998 109.286 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 1.6 mt 60.73 142.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 3.0299999999999998 109.322 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 27' ' ' LYS . 24.3 t -160.99 113.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.49 108.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 13.7 mttt -35.13 144.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 4.6299999999999999 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.428 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 22.9 m -95.65 135.62 37.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.5800000000000001 108.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.52 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 16.2 t80 -116.42 128.89 55.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 5.3099999999999996 110.973 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.52 ' CG1' ' C ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 72.49 145.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 4.4900000000000002 109.284 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 30' ' ' VAL . 2.5 tttm 39.2 72.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 5.7800000000000002 109.29 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 33' ' ' CYS . 12.6 ttpt -42.37 163.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 3.6499999999999999 109.243 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 5.0 t -58.16 137.84 84.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 1.3 108.296 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.493 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 -40.82 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.94999999999999996 110.967 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.6 ptt180 -171.14 140.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 5.4000000000000004 110.277 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.526 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.91 135.52 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 3.3399999999999999 109.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 100.77 -26.9 22.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.77000000000000002 111.007 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.493 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -39.61 121.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 1.46 109.283 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 149.79 49.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 3.0699999999999998 109.317 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -151.5 -175.1 5.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 2.3599999999999999 108.235 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -155.57 148.66 24.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 3.3799999999999999 110.313 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.555 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 35.5 t80 -104.16 108.03 19.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 1.7 111.037 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.604 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -73.01 137.22 45.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 2.3799999999999999 109.301 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.0 p -101.42 -18.21 16.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 2.1699999999999999 110.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.604 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -63.84 -17.25 62.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 7.6799999999999997 110.996 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 14.0 mttm -146.29 -64.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 4.3799999999999999 109.291 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.49 44.66 0.76 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 1.3300000000000001 111.019 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.473 ' NZ ' ' CD ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -97.73 -11.61 23.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 4.6299999999999999 109.28 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 55.95 83.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 3.8199999999999998 108.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.406 ' OH ' ' OH ' ' A' ' 45' ' ' TYR . 4.8 m-85 -63.96 120.2 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 2.0600000000000001 110.964 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 3.6299999999999999 108.335 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.299 -0.63 . . . . 1.79 109.299 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.1 m -59.06 145.32 42.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.71 110.358 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.461 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 10.3 m-85 -103.37 -160.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 2.6400000000000001 111.033 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 11.4 m-80 -158.3 142.77 16.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 2.5099999999999998 109.329 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.14 -138.05 2.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.40999999999999998 110.956 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -147.16 147.82 30.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 4.6100000000000003 109.317 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.476 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 12.9 t -123.56 160.25 27.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 3.2599999999999998 108.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.586 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.8 m-30 -114.76 151.92 32.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 2.98 111.014 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -89.75 -48.26 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 2.9900000000000002 109.336 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -58.04 -36.3 72.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 5.9100000000000001 109.287 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.461 ' CB ' HG13 ' A' ' 13' ' ' ILE . 3.6 m-20 -97.99 -20.46 17.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 3.7200000000000002 109.256 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.586 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 2.0 t-20 49.51 53.43 12.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 2.3999999999999999 109.348 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 1.9 pp -143.97 143.82 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 2.4399999999999999 109.317 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 4.7 t -99.49 123.23 43.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 1.5 108.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.508 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 0.7 OUTLIER -114.94 131.11 57.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 5.1500000000000004 109.343 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.582 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 1.2 p90 -156.52 163.85 38.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.8400000000000001 111.033 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.22 99.75 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 5.1900000000000004 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 2.0499999999999998 109.347 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.506 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.25 -0.648 . . . . 3.25 109.25 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.58 ' N ' ' CD1' ' A' ' 25' ' ' ILE . 1.1 mm -58.8 139.5 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 3.3399999999999999 109.293 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -144.93 107.03 4.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 1.99 108.255 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 13.5 mttt -35.58 145.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 4.5499999999999998 109.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.956 ' SG ' ' HB3' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -88.37 90.17 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.6899999999999999 108.333 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.513 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 7.4 t80 -67.75 122.12 17.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 5.9299999999999997 110.983 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.513 ' CG1' ' C ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 72.94 146.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 4.2400000000000002 109.301 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER 37.83 84.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 4.0800000000000001 109.289 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.27 179.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 4.1100000000000003 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.476 ' SG ' ' C ' ' A' ' 7' ' ' CYS . 0.5 OUTLIER -75.25 143.12 76.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 1.5600000000000001 108.298 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -43.26 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.49 1.784 . . . . 0.94999999999999996 110.991 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -166.34 136.81 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 4.2800000000000002 110.343 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.491 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -35.99 136.14 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 3.27 109.276 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 99.8 -25.15 29.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.67000000000000004 111.038 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -39.25 120.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 1.6399999999999999 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 1.2 ttmt -71.45 149.03 46.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 4.7000000000000002 109.247 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.418 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -153.76 -178.94 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 2.0899999999999999 108.333 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 5.2 mp0 -144.24 144.33 31.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 3.3700000000000001 110.26 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.473 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 93.3 t80 -102.26 98.89 8.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 1.1499999999999999 111.03 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 46' ' ' LYS . 1.1 p-10 -63.88 121.18 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 4.1699999999999999 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.4 p -88.51 15.82 7.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 2.0499999999999998 110.005 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -101.41 -27.96 12.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 6.6100000000000003 111.033 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' OD2' ' A' ' 43' ' ' ASP . 16.2 mttp -122.59 -51.83 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 4.9699999999999998 109.284 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.69 26.37 4.21 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.553 1.158 . . . . 1.05 111.025 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -83.7 -156.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 5.2999999999999998 109.257 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -156.15 69.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 3.27 108.271 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.417 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 19.9 m-85 -36.57 150.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 2.4399999999999999 110.99 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.956 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 2.7799999999999998 108.292 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.6 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.314 -0.624 . . . . 1.77 109.314 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -53.73 161.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.8100000000000001 110.389 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 0.7 OUTLIER -133.41 120.81 21.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 2.8900000000000001 110.987 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -73.99 159.53 32.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 2.29 109.303 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 172.04 -164.76 37.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.76000000000000001 110.994 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 15' ' ' LYS . 23.3 mttp -127.22 166.36 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 2.98 109.317 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -130.83 162.65 29.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.03 108.288 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.6 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 7.2 m-85 -122.65 138.13 54.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 2.2000000000000002 110.954 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 7.2 ptmt -83.33 -48.81 10.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 2.9500000000000002 109.306 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.73 -26.56 61.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 4.9900000000000002 109.337 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.435 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 5.6 m-20 -108.12 -16.64 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 2.4900000000000002 109.321 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' TYR . 14.2 t-20 48.49 62.41 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 2.3900000000000001 109.339 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.445 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.5 pp -147.82 177.8 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 1.8100000000000001 109.266 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.671 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 1.1 t -129.06 112.65 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.27 108.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.569 ' HD2' ' CD1' ' A' ' 8' ' ' TYR . 12.7 mttm -102.2 121.54 42.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 3.6200000000000001 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.575 ' CD2' ' O ' ' A' ' 17' ' ' LYS . 10.4 p90 -143.28 -149.39 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.8200000000000001 111.038 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.575 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -117.33 130.68 56.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 4.7000000000000002 109.268 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 2.0499999999999998 109.3 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.462 ' C ' ' CG1' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.299 -0.63 . . . . 4.8899999999999997 109.299 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.462 ' CG1' ' C ' ' A' ' 24' ' ' ALA . 1.7 mt -151.86 154.6 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 2.79 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 14' ' ' CYS . 20.3 t -155.91 100.02 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 1.8 108.308 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' CYS . 8.5 mttt -37.88 141.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 4.04 109.335 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 56.4 m -100.42 120.0 39.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 1.3300000000000001 108.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 48' ' ' LYS . 8.8 p90 -109.51 136.95 48.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 5.4800000000000004 110.993 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 32' ' ' LYS . 3.3 t 64.0 -78.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 5.1100000000000003 109.282 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -69.82 64.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 5.5599999999999996 109.279 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.7 mtmt -47.11 164.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 4.8300000000000001 109.293 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 37.4 t -70.95 137.05 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.2 108.304 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.48 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -32.2 5.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.85999999999999999 110.995 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 172.56 141.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 7.0199999999999996 110.294 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.6 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.4 m-20 -41.72 133.11 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 4.75 109.309 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.94 -17.4 59.33 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.78000000000000003 111.017 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -53.09 119.11 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 1.6399999999999999 109.321 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 7.9 tttt -63.8 147.87 50.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 3.3999999999999999 109.337 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 1.6 t -157.5 160.91 38.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 2.1000000000000001 108.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 2.2 pm0 -131.58 130.22 41.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 3.0899999999999999 110.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.521 ' O ' ' CG2' ' A' ' 2' ' ' THR . 11.9 t80 -87.5 143.08 27.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.71 110.954 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.616 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 8.2 t70 -103.81 131.44 51.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 3.0600000000000001 109.303 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.77 19.22 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 2.0299999999999998 109.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.645 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -108.76 -11.6 15.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 6.2000000000000002 110.976 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -141.4 -47.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 4.1500000000000004 109.311 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.79 12.89 15.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.98999999999999999 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 5.5 mtpt -82.9 176.05 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 4.4299999999999997 109.306 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -124.72 98.3 5.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 2.2799999999999998 108.269 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -72.18 58.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 1.8799999999999999 111.008 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 32.9 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 1.99 108.317 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.62 . . . . 1.8999999999999999 109.327 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.21 141.33 32.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 1.54 110.386 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.402 ' CD1' ' HD2' ' A' ' 42' ' ' PHE . 5.7 m-85 -113.24 121.94 45.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 2.2400000000000002 111.01 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.03 161.04 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 2.1099999999999999 109.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.27 -143.67 5.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.40000000000000002 111.025 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' LYS . 12.3 mttp -142.94 156.65 44.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 3.0600000000000001 109.299 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.514 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 1.1 p -130.75 170.17 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.96999999999999997 108.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.604 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 3.8 m-85 -141.28 150.36 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 2.8199999999999998 110.959 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' ASN . 36.7 mttt -76.18 -65.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 5.75 109.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -39.55 -52.3 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 5.1399999999999997 109.268 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.44 ' CB ' HG13 ' A' ' 13' ' ' ILE . 31.4 m-20 -80.74 -25.25 38.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 3.21 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.604 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 2.2 t30 49.18 48.71 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 3.0299999999999998 109.316 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.504 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.6 pp -131.05 -177.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 2.2799999999999998 109.367 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 51.5 t -137.25 108.14 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 1.28 108.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.504 ' HD2' ' CE1' ' A' ' 8' ' ' TYR . 13.6 mtpt -96.66 139.25 33.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 3.6600000000000001 109.318 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.484 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 3.6 p90 -167.32 172.21 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 1.72 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -99.27 120.8 40.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 3.96 109.263 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 2.0499999999999998 109.282 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.28 -0.637 . . . . 3.75 109.28 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.484 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER 61.1 134.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 3.1800000000000002 109.355 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' LYS . 2.9 t -153.61 106.66 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 1.4099999999999999 108.286 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 2.6 mtpt -35.01 139.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 5.4400000000000004 109.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' TYR . 4.9 m -86.82 112.22 21.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 1.3600000000000001 108.326 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.608 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 1.9 p90 -59.29 -148.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 6.3499999999999996 110.99 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.608 ' N ' ' CG ' ' A' ' 29' ' ' TYR . 27.0 t -36.45 -63.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 5.29 109.259 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -54.34 90.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 4.8700000000000001 109.265 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.498 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 29.9 ttmt -64.35 155.4 32.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 3.73 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 49.3 t -69.36 136.72 88.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 1.1599999999999999 108.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.02 -36.86 2.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 1.1699999999999999 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.86 160.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 4.3200000000000003 110.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -55.43 135.78 50.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 3.6099999999999999 109.29 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.21 -22.27 27.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.63 111.051 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.475 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -39.77 119.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 1.76 109.274 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.14 148.34 50.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 2.8399999999999999 109.327 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 23.4 t -155.11 162.01 41.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 2.3199999999999998 108.332 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.1 pm0 -131.86 134.71 46.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 2.98 110.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.402 ' HD2' ' CD1' ' A' ' 3' ' ' TYR . 24.8 t80 -96.86 113.29 24.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 1.3700000000000001 110.989 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.599 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 1.8 t0 -83.84 131.53 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 3.0299999999999998 109.296 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 p -91.2 -13.03 33.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 2.04 110.031 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.599 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -70.54 -8.13 49.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 7.0 110.997 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 28.1 mttt -148.01 -55.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 4.2800000000000002 109.335 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.03 19.9 5.81 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 1.0900000000000001 111.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -87.13 173.06 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 0.725 . . . . 5.1500000000000004 109.277 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -122.92 97.48 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 2.4100000000000001 108.293 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -71.46 63.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 2.1699999999999999 111.022 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 1.6299999999999999 108.316 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.291 -0.633 . . . . 1.9199999999999999 109.291 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.4 ' OG1' ' OH ' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -67.67 147.02 53.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.5 110.369 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.45 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 56.3 m-85 -117.11 121.49 41.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 2.2999999999999998 110.981 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.76 160.36 30.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 2.4500000000000002 109.314 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.22 -165.16 38.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.88 110.994 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -123.82 169.69 11.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 4.8600000000000003 109.331 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -132.68 159.99 38.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.98999999999999999 108.319 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.598 ' CZ ' ' NZ ' ' A' ' 15' ' ' LYS . 6.8 m-85 -120.34 141.0 50.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 2.2799999999999998 110.963 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -85.21 -48.36 9.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 4.0899999999999999 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -55.07 -25.23 29.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 4.5599999999999996 109.317 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -112.53 -16.18 12.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 4.5099999999999998 109.297 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.491 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 15.4 t-20 48.86 59.04 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 2.1800000000000002 109.315 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.479 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.6 pp -140.3 -177.39 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.97 109.25 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 2.2 t -136.98 116.93 13.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.1599999999999999 108.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.598 ' NZ ' ' CZ ' ' A' ' 8' ' ' TYR . 26.9 mtpt -105.85 122.41 46.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 3.7599999999999998 109.29 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.746 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 27.6 p90 -140.98 161.7 37.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 1.76 111.004 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -79.91 134.4 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 4.5800000000000001 109.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 2.3700000000000001 109.283 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.331 -0.618 . . . . 4.3099999999999996 109.331 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 15' ' ' LYS . 2.1 mm -109.15 135.82 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 4.21 109.317 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' LYS . 11.2 t -129.15 100.21 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.8400000000000001 108.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER -38.6 151.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 6.5199999999999996 109.307 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.406 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 65.8 m -75.17 178.91 5.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 1.5800000000000001 108.343 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.54 ' CD2' ' CG2' ' A' ' 30' ' ' VAL . 20.0 t80 -179.51 148.03 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 5.71 110.94 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.54 ' CG2' ' CD2' ' A' ' 29' ' ' TYR . 2.2 t 66.85 -72.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 4.1100000000000003 109.338 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' TYR . 7.2 mttt -107.87 80.45 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 4.4900000000000002 109.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -40.43 160.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 3.3300000000000001 109.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 42.6 t -58.68 135.99 86.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.22 108.277 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.95 -33.97 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.71999999999999997 110.995 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER 172.66 140.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 6.3200000000000003 110.298 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.56 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 21.0 m-20 -40.35 131.76 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 4.0300000000000002 109.282 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.93 -17.47 56.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.56999999999999995 111.006 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.483 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -55.7 120.2 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 1.3700000000000001 109.27 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -66.48 147.92 52.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 4.9100000000000001 109.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 5.2 t -159.32 162.42 35.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 2.25 108.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 2.1 pm0 -130.39 132.82 45.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 3.1400000000000001 110.31 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.746 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 34.1 t80 -93.02 119.19 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 1.3600000000000001 111.022 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.47 124.3 28.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 2.6000000000000001 109.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.15 21.27 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.6000000000000001 109.942 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.601 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -104.94 -26.28 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 5.7800000000000002 111.003 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -126.95 -53.5 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 4.8899999999999997 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.401 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 114.98 19.46 5.97 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.115 . . . . 1.1799999999999999 110.956 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -179.5 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 4.29 109.33 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 100.89 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 2.6400000000000001 108.257 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -76.98 54.61 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 2.2599999999999998 111.005 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.0 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.5700000000000001 108.329 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.277 -0.638 . . . . 2.4900000000000002 109.277 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.52 148.31 22.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 1.6499999999999999 110.413 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.519 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 4.0 m-85 -115.31 112.46 22.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 2.7799999999999998 110.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.683 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.9 OUTLIER -89.68 136.54 32.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 2.2799999999999998 109.267 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.57 -135.47 1.82 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.71999999999999997 111.018 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 8.5 mttt -139.44 162.14 35.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 2.6699999999999999 109.336 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -128.87 172.11 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 108.295 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.555 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 5.7 m-85 -137.1 139.31 41.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 2.5899999999999999 111.005 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.8 mttt -60.72 -72.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 3.8999999999999999 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -39.74 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 3.9399999999999999 109.35 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.468 ' CB ' HG13 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -54.44 -23.63 16.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 3.1600000000000001 109.308 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.555 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 11.8 t-20 41.89 60.06 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 2.2599999999999998 109.299 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.522 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 1.2 pp -142.32 -175.9 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 2.1699999999999999 109.279 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 12.9 t -132.91 112.21 11.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 1.29 108.315 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' CG ' HG22 ' A' ' 25' ' ' ILE . 7.8 mttm -106.88 139.54 41.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 5.29 109.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.649 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -140.87 -175.99 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 1.6200000000000001 111.014 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -92.1 29.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 4.8099999999999996 109.277 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 2.6000000000000001 109.355 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.605 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.298 -0.63 . . . . 4.0899999999999999 109.298 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.451 HG22 ' CG ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -112.96 139.18 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 4.4900000000000002 109.301 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.1 t -127.22 98.87 5.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 2.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -39.12 142.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 5.7699999999999996 109.339 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 76.3 m -91.19 125.36 35.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 1.28 108.289 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.522 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 1.3 p90 -111.92 136.01 51.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 6.0999999999999996 111.033 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 32' ' ' LYS . 22.2 t 63.76 -79.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 5.21 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.584 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 12.3 tttp -70.06 62.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 4.6699999999999999 109.294 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -43.37 164.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 3.4300000000000002 109.285 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 41.1 t -68.34 135.95 91.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 1.27 108.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -33.86 4.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.763 . . . . 0.77000000000000002 111.014 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 0.0 OUTLIER 174.94 147.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 7.0099999999999998 110.315 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.83 133.07 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 2.9399999999999999 109.272 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.51 -29.14 12.05 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.46 1.1 . . . . 0.63 111.035 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -39.66 122.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 1.49 109.283 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.17 149.02 43.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 3.4300000000000002 109.314 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 4.7 t -160.57 162.04 32.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 2.3999999999999999 108.276 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -130.93 133.72 46.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 3.3599999999999999 110.302 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -99.02 120.37 39.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 1.71 111.005 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.503 ' HB3' ' CD2' ' A' ' 45' ' ' TYR . 6.9 m-20 -86.19 116.33 24.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 2.98 109.33 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.16 4.2 18.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 4.7400000000000002 109.991 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.503 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 1.9 m-85 -81.49 -44.29 17.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 6.6799999999999997 110.972 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -113.48 -48.03 2.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 4.5199999999999996 109.292 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.94 18.52 6.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 1.75 111.01 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.522 ' HG2' ' CE2' ' A' ' 29' ' ' TYR . 2.9 mtpt -75.78 -170.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 5.5300000000000002 109.325 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 2.7 t -143.93 92.55 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 2.6200000000000001 108.318 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.4 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 6.7 m-30 -70.63 77.86 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 2.2400000000000002 110.983 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 1.8600000000000001 108.328 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.305 -0.628 . . . . 2.5600000000000001 109.305 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.04 133.53 53.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.8700000000000001 110.383 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 18' ' ' ALA . 89.3 m-85 -100.7 126.16 47.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 3.5699999999999998 110.964 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.419 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -94.27 152.22 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.8 109.286 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.98 -130.53 1.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.55000000000000004 110.973 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.409 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 30.9 mttt -143.01 160.49 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 2.7599999999999998 109.332 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' ALA . 4.4 p -132.66 166.2 22.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 1.05 108.276 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' ASN . 6.6 m-85 -130.74 135.48 47.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 2.4500000000000002 110.958 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -80.22 -48.84 12.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 3.2799999999999998 109.325 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -54.73 -26.23 32.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 4.5099999999999998 109.305 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.432 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -110.08 -14.16 14.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 3.3999999999999999 109.294 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 8' ' ' TYR . 17.1 t-20 45.0 58.4 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 2.21 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 15' ' ' LYS . 2.8 pp -139.87 170.29 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 1.9399999999999999 109.315 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -120.54 122.16 39.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 2.1299999999999999 108.292 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 13' ' ' ILE . 2.2 mttt -114.45 147.74 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 4.9500000000000002 109.27 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -161.48 -172.95 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 2.8799999999999999 111.022 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 6.0 ttpt -73.39 -18.14 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 5.96 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 3' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 2.9500000000000002 109.28 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.463 ' HB1' ' CB ' ' A' ' 18' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.322 -0.622 . . . . 3.5099999999999998 109.322 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mt -118.48 155.15 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 3.0800000000000001 109.314 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' LYS . 24.0 p -148.95 100.03 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 2.3599999999999999 108.311 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -38.57 143.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 4.8399999999999999 109.302 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.938 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 34.9 m -93.24 123.51 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.3899999999999999 108.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.581 ' CE1' ' CG2' ' A' ' 30' ' ' VAL . 7.7 p90 -112.46 5.06 17.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 4.75 111.032 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.581 ' CG2' ' CE1' ' A' ' 29' ' ' TYR . 1.8 t -121.23 -142.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 4.25 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -49.21 93.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 5.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.26 152.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 5.2699999999999996 109.302 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 2.0 t -57.96 141.85 80.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 1.3500000000000001 108.325 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.92 -40.75 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.88 110.987 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -174.41 139.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 5.5800000000000001 110.312 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.485 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -37.34 132.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 2.8599999999999999 109.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.5 -22.68 36.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 1.0600000000000001 111.013 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -42.3 122.26 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 1.5 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.05 149.99 48.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 3.2999999999999998 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER -155.17 176.57 12.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 2.2999999999999998 108.32 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -141.74 129.04 21.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 3.2400000000000002 110.284 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.572 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 36.3 t80 -99.37 135.89 40.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 1.1799999999999999 110.995 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.576 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . 76.5 m-20 -80.28 130.65 35.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 2.5899999999999999 109.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.402 ' C ' ' CD2' ' A' ' 45' ' ' TYR . 21.2 p -89.01 59.2 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.9099999999999999 109.981 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 43' ' ' ASP . 4.7 p90 169.71 -29.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 4.8499999999999996 110.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 2.9 mttp -85.02 -34.59 22.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 4.2199999999999998 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.11 16.76 79.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 1.4399999999999999 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.51 ' HG2' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -104.53 -175.31 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 4.5099999999999998 109.319 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.646 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -130.69 95.09 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 2.3300000000000001 108.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -67.66 63.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 2.1499999999999999 111.004 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.938 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.8 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 1.6000000000000001 108.309 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.316 -0.624 . . . . 2.23 109.316 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.41 138.78 37.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.8200000000000001 110.379 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.444 ' CB ' ' CD1' ' A' ' 16' ' ' TYR . 26.9 m-85 -108.22 118.68 37.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 2.52 111.001 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.429 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -78.78 160.48 27.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 2.3599999999999999 109.298 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.82 -154.45 24.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.53000000000000003 110.991 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 168.14 13.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 3.48 109.291 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' ALA . 2.0 p -134.73 168.83 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 1.03 108.281 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 12' ' ' ASN . 8.2 m-85 -131.48 137.33 48.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 2.46 110.948 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 35' ' ' ARG . 8.9 ptmt -81.13 -52.37 7.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 2.9399999999999999 109.314 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -51.31 -31.47 21.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 5.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.434 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 15.4 m-20 -104.07 -18.37 14.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 2.8599999999999999 109.321 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 8' ' ' TYR . 15.4 t-20 50.2 64.51 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 2.29 109.291 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.434 ' CG1' ' HB3' ' A' ' 11' ' ' ASP . 2.6 pp -154.11 165.78 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 2.0800000000000001 109.319 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.36 128.41 50.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 1.3600000000000001 108.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -113.62 141.99 46.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 4.0300000000000002 109.327 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.62 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 50.2 p90 -156.9 166.01 34.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 2.5299999999999998 110.98 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -78.52 128.14 33.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 4.7800000000000002 109.313 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 2.3399999999999999 109.344 179.954 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.549 ' HB1' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.315 -0.624 . . . . 4.4000000000000004 109.315 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.54 140.12 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 3.3399999999999999 109.33 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.9 t -125.13 99.71 6.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 2.2200000000000002 108.362 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -39.61 145.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 3.7200000000000002 109.301 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.434 ' SG ' ' CA ' ' A' ' 13' ' ' ILE . 64.2 m -96.28 75.35 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 1.48 108.281 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.619 ' CD2' ' O ' ' A' ' 29' ' ' TYR . 23.5 p90 -103.23 39.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 5.4199999999999999 111.019 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -158.23 -76.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 4.9500000000000002 109.264 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.665 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.8 mmtp -106.33 85.9 2.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 5.29 109.324 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -38.88 156.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 5.2599999999999998 109.304 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.436 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 27.6 t -78.37 138.76 59.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.23 108.263 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -33.84 4.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.70999999999999996 110.978 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.471 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 12.3 ptm180 176.96 149.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 5.6299999999999999 110.298 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -44.75 131.53 6.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 3.02 109.306 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.7 -27.66 18.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.68999999999999995 110.987 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.475 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.26 121.52 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 1.4299999999999999 109.315 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 148.37 49.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 4.0599999999999996 109.275 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 14.3 t -167.04 162.08 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 2.3999999999999999 108.284 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 4.8 pt-20 -125.97 145.69 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 4.46 110.268 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.62 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 22.8 t80 -102.64 110.95 23.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.75 111.012 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.21 124.73 26.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 4.0800000000000001 109.327 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 p -89.57 14.75 10.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 2.1000000000000001 110.01 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -94.88 -30.09 14.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 6.2599999999999998 111.03 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -129.95 -46.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 4.5300000000000002 109.289 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.463 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 111.07 24.73 5.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 1.6000000000000001 110.973 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' CD ' ' OH ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -88.77 174.86 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 5.1900000000000004 109.298 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -121.21 91.12 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 2.9900000000000002 108.323 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -67.21 67.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 2.3300000000000001 110.981 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.665 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 1.8 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 1.9299999999999999 108.302 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.292 -0.632 . . . . 1.8999999999999999 109.292 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.92 124.86 28.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.54 110.391 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 57.7 m-85 -90.56 125.22 35.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 2.25 110.98 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.692 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.8 OUTLIER -83.99 162.41 20.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 2.27 109.289 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 174.53 -142.76 6.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.53000000000000003 111.014 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -140.43 169.62 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 4.5700000000000003 109.282 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.5 p -135.07 154.04 51.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 1.0800000000000001 108.319 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.587 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 32.5 m-85 -114.56 133.59 55.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 2.96 111.014 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 3.2 mttt -59.65 -69.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 4.4400000000000004 109.294 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -41.45 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 5.7999999999999998 109.353 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -53.95 -20.63 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.117 . . . . 4.1100000000000003 109.335 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.674 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 1.6 t-20 41.18 64.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 2.1899999999999999 109.318 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 1.9 pp -140.93 -174.6 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 2.1000000000000001 109.311 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -123.92 102.93 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 1.3899999999999999 108.329 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -93.0 128.0 38.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 5.3499999999999996 109.257 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.504 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 3.6 p90 -158.27 175.66 13.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.46 111.018 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -95.75 141.85 28.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 5.1500000000000004 109.295 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.9199999999999999 109.319 179.982 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 3.8599999999999999 109.308 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 7.0 mt 62.07 135.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 2.75 109.339 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -142.54 110.05 5.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 1.3700000000000001 108.322 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.487 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -35.57 132.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 5.6200000000000001 109.257 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 21.5 m -95.21 121.16 36.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 1.4299999999999999 108.275 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.676 ' CE1' ' CG1' ' A' ' 30' ' ' VAL . 27.5 p90 -116.27 3.56 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 4.9100000000000001 111.012 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.676 ' CG1' ' CE1' ' A' ' 29' ' ' TYR . 18.9 m -117.01 -137.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 4.9199999999999999 109.323 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -51.74 90.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 4.5800000000000001 109.33 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -37.84 154.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 5.8399999999999999 109.307 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 17.0 t -63.87 135.46 96.31 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 1.3400000000000001 108.269 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -74.98 -31.72 6.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.66000000000000003 111.007 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 171.84 140.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 6.0599999999999996 110.242 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.587 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 23.6 m-20 -38.75 130.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 4.04 109.314 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.48 -19.9 48.83 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.65000000000000002 110.971 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -53.1 120.64 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 1.75 109.278 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -61.7 149.18 40.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 4.5599999999999996 109.27 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 4.6 t -158.9 161.74 36.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 2.0699999999999998 108.317 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 6.0 pt-20 -130.02 145.2 51.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 3.6000000000000001 110.319 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.504 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 44.8 t80 -109.03 112.12 24.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 1.1000000000000001 111.035 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.599 ' CG ' ' CE1' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -69.36 130.45 42.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 2.4100000000000001 109.263 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 p -94.34 -21.85 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.74 109.975 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.599 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -64.88 -10.91 32.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 7.6900000000000004 110.991 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.512 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 24.3 mttm -143.54 -54.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 4.4299999999999997 109.309 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.47 1.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 1.22 111.017 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -113.14 -178.61 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 4.21 109.294 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.42 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -108.68 131.86 54.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 2.8500000000000001 108.294 -179.967 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -122.27 50.93 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 2.2400000000000002 110.983 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 97.6 m . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 2.0800000000000001 108.33 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.871 ' N ' ' HH ' ' A' ' 45' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 1.78 109.309 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.405 ' OG1' ' OH ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -69.81 141.11 53.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 1.51 110.387 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -108.13 116.16 31.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 2.3799999999999999 111.004 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.95 146.43 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 1.98 109.317 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.72 -133.88 1.66 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.46999999999999997 111.021 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' LYS . 34.9 mttp -145.39 156.45 43.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 3.0699999999999998 109.3 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.411 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 1.7 p -119.9 167.88 11.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 1.1499999999999999 108.318 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 52.8 m-85 -133.94 130.21 37.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 2.7799999999999998 110.984 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.2 mttt -56.97 -70.4 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 3.8700000000000001 109.3 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' LYS . 12.8 ttpt -39.64 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 5.2999999999999998 109.293 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' ASN . 1.3 m-20 -52.62 -21.02 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 3.52 109.278 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.541 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 8.6 t-20 40.29 63.28 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 2.2400000000000002 109.283 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.3 pp -140.69 -176.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 2.1200000000000001 109.285 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -121.0 105.76 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.77 108.333 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -94.35 132.42 38.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 5.6900000000000004 109.34 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.533 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 1.8 p90 -160.71 165.59 30.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.6299999999999999 110.979 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.59 100.93 12.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 3.48 109.289 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 2.1200000000000001 109.262 179.978 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.269 -0.641 . . . . 4.0099999999999998 109.269 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.51 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 52.4 mt 61.6 141.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 3.0899999999999999 109.284 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.54 ' O ' ' C ' ' A' ' 27' ' ' LYS . 7.1 t -158.06 120.96 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 1.6000000000000001 108.264 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' C ' ' O ' ' A' ' 26' ' ' CYS . 12.4 mmtt -29.8 141.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 5.9500000000000002 109.266 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.1 m -86.51 -179.02 6.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.8300000000000001 108.35 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.655 ' CD2' ' CG2' ' A' ' 30' ' ' VAL . 29.8 t80 179.64 162.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 4.5999999999999996 110.986 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.655 ' CG2' ' CD2' ' A' ' 29' ' ' TYR . 3.9 t 72.65 -73.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 4.2300000000000004 109.311 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.31 97.78 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 4.1900000000000004 109.326 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -41.16 161.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 4.8200000000000003 109.333 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 23.1 t -62.35 136.29 95.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.24 108.313 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -74.99 -33.14 4.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.75 111.026 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 172.68 143.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 6.7000000000000002 110.313 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.495 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.47 138.25 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 3.1800000000000002 109.281 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.97 -24.11 20.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.11 . . . . 0.60999999999999999 111.016 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.494 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -45.89 117.89 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 1.45 109.29 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 148.35 40.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 3.77 109.289 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -156.04 169.42 24.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 2.5 108.281 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -140.91 127.12 19.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 3.6899999999999999 110.33 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.414 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 19.9 t80 -94.56 115.92 28.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.6699999999999999 111.029 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.61 ' OD2' ' CD2' ' A' ' 45' ' ' TYR . 7.1 t70 -75.71 133.02 40.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 3.0699999999999998 109.307 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 p -102.32 17.8 22.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 2.0099999999999998 110.029 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.871 ' HH ' ' N ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -109.64 -15.34 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 6.8899999999999997 110.99 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -127.93 -51.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 5.1200000000000001 109.281 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.14 25.66 6.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 1.28 110.966 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.81 174.4 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 4.04 109.281 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -110.49 101.69 10.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.5099999999999998 108.314 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -77.71 55.6 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 2.1699999999999999 110.976 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.0 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 1.6299999999999999 108.283 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.258 -0.645 . . . . 1.76 109.258 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.404 ' OG1' ' OH ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -59.44 147.01 38.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 1.79 110.408 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -116.81 117.95 31.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 2.29 110.998 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.482 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -87.19 152.22 22.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 1.78 109.303 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.42 -129.47 1.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.53000000000000003 111.01 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -145.9 160.94 41.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 2.6400000000000001 109.255 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 4.3 p -135.92 161.85 34.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.03 108.244 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.636 ' O ' ' N ' ' A' ' 12' ' ' ASN . 4.1 m-85 -129.98 126.73 38.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 2.5099999999999998 110.973 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.516 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -55.01 -58.06 9.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 3.2400000000000002 109.279 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 1.3 tptp -43.31 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 5.2999999999999998 109.28 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.448 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 2.4 m-20 -62.59 -12.66 24.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 3.3399999999999999 109.31 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.636 ' N ' ' O ' ' A' ' 8' ' ' TYR . 56.4 t30 37.6 68.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 2.4399999999999999 109.303 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.486 ' CD1' ' HG3' ' A' ' 15' ' ' LYS . 2.7 pp -145.03 167.03 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.79 109.325 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -117.81 115.58 25.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 1.46 108.304 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' HG3' ' CD1' ' A' ' 13' ' ' ILE . 24.0 mttt -99.38 137.41 37.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 4.6699999999999999 109.292 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.793 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 21.6 p90 -159.13 162.93 36.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.9099999999999999 110.993 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -66.47 161.31 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 4.2300000000000004 109.33 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 3.1899999999999999 109.325 179.964 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.263 -0.643 . . . . 3.8500000000000001 109.263 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.463 ' CG2' HD12 ' A' ' 13' ' ' ILE . 6.4 mt -113.39 156.48 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 3.0600000000000001 109.256 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' CYS . 32.6 t -139.37 103.41 4.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 1.9299999999999999 108.323 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -40.6 148.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 3.8900000000000001 109.305 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.239 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -84.34 128.24 34.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 1.2 108.289 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -127.33 150.54 49.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 5.2699999999999996 111.027 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t 74.87 -69.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 3.8799999999999999 109.321 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -123.79 121.2 34.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 4.7199999999999998 109.319 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -61.02 -177.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 7.3700000000000001 109.311 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -82.72 145.77 51.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 1.3400000000000001 108.327 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.466 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.01 -43.48 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.80000000000000004 111.021 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -172.43 148.74 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 5.8600000000000003 110.293 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -44.19 135.59 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 2.8100000000000001 109.318 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.76 -23.74 21.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.147 . . . . 0.90000000000000002 111.047 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -40.02 119.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 1.72 109.265 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 1.4 ttpm? -65.31 146.69 54.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 3.3900000000000001 109.271 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -158.35 160.49 36.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 2.1400000000000001 108.273 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -124.08 131.63 53.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 3.29 110.351 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.793 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 38.4 t80 -98.28 113.66 25.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 1.1000000000000001 111.033 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.608 ' OD2' ' CD2' ' A' ' 45' ' ' TYR . 9.4 t70 -66.58 130.55 43.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 3.3199999999999998 109.301 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.1 13.48 29.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.73 110.02 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.634 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -109.17 -24.79 10.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 5.8899999999999997 111.029 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -120.98 -59.63 1.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 4.7000000000000002 109.297 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.57 14.07 7.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 1.24 111.039 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -79.12 -168.98 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 4.3399999999999999 109.288 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.06 98.06 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 2.6800000000000002 108.244 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -77.26 53.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 2.4700000000000002 110.998 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 1.239 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.5 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 1.6699999999999999 108.324 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.317 -0.623 . . . . 2.23 109.317 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.18 136.95 55.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.8300000000000001 110.41 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -107.86 114.9 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 2.4300000000000002 110.986 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -72.38 162.63 29.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 2.3500000000000001 109.298 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.6 -145.31 9.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.097 . . . . 0.46999999999999997 111.024 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -133.86 160.8 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.76 . . . . 2.79 109.319 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.421 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 1.2 p -121.7 161.84 21.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.0700000000000001 108.3 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 12.0 m-85 -121.41 137.08 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 2.5 111.044 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 7.2 ptmt -83.69 -48.5 10.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 3.6200000000000001 109.309 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -58.45 -24.83 61.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 4.3300000000000001 109.313 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.408 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 7.6 m-20 -110.39 -13.9 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 2.6099999999999999 109.266 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.523 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 11.3 t-20 46.5 59.08 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 2.27 109.286 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -141.55 178.26 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 1.8799999999999999 109.277 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' CB ' ' SG ' ' A' ' 49' ' ' CYS . 2.5 t -132.52 112.67 12.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 1.22 108.298 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -94.01 162.78 13.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 4.3700000000000001 109.327 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.757 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 54.1 p90 -178.31 165.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 2.4900000000000002 111.008 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -76.16 126.82 31.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 3.9700000000000002 109.347 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 2.4300000000000002 109.303 -179.97 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.586 ' O ' ' CD2' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.273 -0.64 . . . . 4.1100000000000003 109.273 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.443 ' CG2' HD11 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -98.14 147.61 6.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 4.1100000000000003 109.292 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.462 ' SG ' ' CD1' ' A' ' 42' ' ' PHE . 37.1 t -139.07 101.3 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 1.8500000000000001 108.283 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -39.62 145.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 5.0700000000000003 109.304 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.101 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 61.6 m -92.14 129.01 38.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 1.28 108.317 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CZ ' ' HE2' ' A' ' 48' ' ' LYS . 2.3 p90 -112.43 132.16 55.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 6.6299999999999999 111.018 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 32' ' ' LYS . 78.9 t 63.92 -78.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 4.8899999999999997 109.307 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' TYR . 4.3 mtmt -69.22 63.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 5.5899999999999999 109.31 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.2 ttpt -44.46 161.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 3.2200000000000002 109.267 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 36.1 t -68.51 136.89 90.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.23 108.282 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -32.72 5.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.79000000000000004 111.044 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.461 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 1.6 ptp180 171.77 138.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 5.1299999999999999 110.284 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.533 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.6 m-20 -39.5 133.51 1.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 4.5499999999999998 109.341 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.42 -16.66 59.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.76000000000000001 110.951 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -57.05 121.48 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 1.75 109.33 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 8.7 tttt -61.59 149.85 37.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 4.5999999999999996 109.304 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.429 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 1.7 p -167.35 -179.46 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 2.2799999999999998 108.271 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -146.97 140.45 25.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 3.6200000000000001 110.275 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.757 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 19.2 t80 -96.77 111.74 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.8300000000000001 110.985 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.596 ' CG ' ' CE1' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -68.8 137.81 54.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 2.9399999999999999 109.288 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 p -105.15 -25.19 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 2.1600000000000001 109.979 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.596 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 2.6 p90 -54.13 -22.26 10.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 7.7800000000000002 111.012 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 2.6 ptmm? -143.87 -45.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 6.9000000000000004 109.271 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.86 17.05 5.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 1.02 110.993 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HE2' ' CZ ' ' A' ' 29' ' ' TYR . 0.5 OUTLIER -67.01 -165.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.757 . . . . 4.6600000000000001 109.31 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -147.75 87.79 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 2.3399999999999999 108.277 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.529 ' CE1' ' OD2' ' A' ' 43' ' ' ASP . 4.4 m-30 -67.09 68.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 2.1899999999999999 110.982 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 1.101 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.6 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 1.8799999999999999 108.281 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.503 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 2.3799999999999999 109.288 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.23 143.85 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 1.6599999999999999 110.413 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.503 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 5.1 m-85 -118.66 124.53 47.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 2.3399999999999999 111.001 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.42 ' N ' HD21 ' A' ' 4' ' ' ASN . 2.2 m-80 -89.93 161.94 15.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 2.48 109.311 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.14 -135.62 3.13 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.46999999999999997 110.998 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -139.64 165.97 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 2.8599999999999999 109.348 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' ALA . 2.0 p -136.81 172.04 13.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 1.0 108.326 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.4 m-85 -135.94 133.08 37.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 2.3500000000000001 111.019 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.47 -48.82 46.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 3.04 109.33 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -53.34 -54.44 36.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 5.79 109.314 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.424 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 59.9 m-20 -82.46 -8.41 59.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 2.8500000000000001 109.298 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.532 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 15.9 t-20 39.6 56.31 2.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 2.3900000000000001 109.33 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.424 ' CG1' ' HB3' ' A' ' 11' ' ' ASP . 2.7 pp -141.04 171.32 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 1.95 109.295 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.93 123.64 35.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 1.3100000000000001 108.335 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -104.63 131.98 51.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 4.7199999999999998 109.289 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.631 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 40.0 p90 -156.43 166.07 34.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 2.1000000000000001 111.001 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -76.41 135.62 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 4.7800000000000002 109.332 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 2.1200000000000001 109.29 -179.992 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.284 -0.635 . . . . 4.0999999999999996 109.284 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 mt -93.87 134.03 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 3.1000000000000001 109.311 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -131.0 97.85 4.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.98 108.28 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' CYS . 0.3 OUTLIER -38.59 144.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 5.6900000000000004 109.31 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 61.8 m -86.9 115.49 24.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.3400000000000001 108.274 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' LYS . 13.9 t80 -102.33 127.86 49.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 6.5 111.013 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 t 66.26 -73.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 4.0099999999999998 109.303 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -73.58 61.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 6.29 109.313 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 1.4 ttpt -44.54 159.34 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 3.1499999999999999 109.332 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.465 ' SG ' ' CA ' ' A' ' 8' ' ' TYR . 27.3 t -67.23 138.94 94.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 1.1899999999999999 108.271 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -43.38 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.79000000000000004 110.997 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 11.3 ptm180 -171.65 144.46 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 5.8099999999999996 110.257 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.487 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -39.47 134.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 2.8799999999999999 109.308 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 92.8 -24.96 21.58 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.49 1.119 . . . . 0.79000000000000004 111.033 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.22 123.58 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 0.745 . . . . 1.9299999999999999 109.285 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -71.37 147.67 47.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 3.0299999999999998 109.285 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 10.8 t -161.42 162.21 30.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 2.3100000000000001 108.306 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.426 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 1.4 pm0 -126.15 134.17 51.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 3.2999999999999998 110.337 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.631 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 63.7 t80 -92.71 119.4 32.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.3899999999999999 110.964 -179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.484 ' CB ' ' CD1' ' A' ' 45' ' ' TYR . 3.0 m-20 -91.47 123.14 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 4.2999999999999998 109.299 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.3 p -74.3 -16.29 60.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 2.0299999999999998 110.011 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -54.5 -23.69 17.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 8.5299999999999994 110.969 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -156.25 -46.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 7.0099999999999998 109.316 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.545 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 116.39 11.6 9.54 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 2.0099999999999998 110.994 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 121.31 18.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 7.6399999999999997 109.312 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -69.06 94.66 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 2.98 108.314 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -71.45 59.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 2.02 110.963 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.3 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 1.6200000000000001 108.296 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.575 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.302 -0.629 . . . . 1.9299999999999999 109.302 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.04 141.38 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.8100000000000001 110.418 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.575 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 6.5 m-85 -107.65 123.93 49.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 2.5600000000000001 110.976 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.687 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.9 OUTLIER -91.53 154.12 19.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 2.4700000000000002 109.321 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.43 -140.42 3.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.453 1.095 . . . . 0.47999999999999998 111.003 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -139.51 157.45 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 2.48 109.309 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -125.5 160.57 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0800000000000001 108.322 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 6.9 m-85 -115.72 147.0 41.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 2.2599999999999998 110.997 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 2.2 ptmt -88.53 -51.49 5.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 2.8999999999999999 109.277 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -58.21 -21.51 48.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 3.8500000000000001 109.304 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.432 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -109.99 -24.42 10.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 2.6600000000000001 109.283 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.587 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.5 t-20 54.09 53.44 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 2.23 109.324 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.8 pp -138.17 -179.57 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 2.1899999999999999 109.322 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' CB ' ' SG ' ' A' ' 49' ' ' CYS . 2.5 t -131.54 125.1 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 1.26 108.316 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 8' ' ' TYR . 25.9 mttt -108.86 120.93 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 3.8999999999999999 109.281 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.612 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 13.0 p90 -144.77 171.75 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 1.4299999999999999 110.98 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -77.53 156.3 31.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 4.3099999999999996 109.279 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 2.1400000000000001 109.274 -179.996 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.598 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.277 -0.638 . . . . 4.4900000000000002 109.277 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.451 ' CG2' HD11 ' A' ' 13' ' ' ILE . 2.2 mt -103.26 137.52 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 3.4700000000000002 109.316 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 47' ' ' GLY . 25.8 t -137.71 100.13 4.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 1.77 108.333 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -42.73 143.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 5.0199999999999996 109.274 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.418 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 1.1 m -79.78 102.17 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.55 108.26 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CE1' ' CG2' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -89.52 20.86 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 4.8200000000000003 110.991 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.589 ' CG2' ' CE1' ' A' ' 29' ' ' TYR . 1.7 t -131.45 -145.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 4.8099999999999996 109.302 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -61.07 108.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 5.6699999999999999 109.324 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 31' ' ' LYS . 15.0 ttpt -35.88 150.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 4.3200000000000003 109.334 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.495 ' HB3' ' CA ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -58.63 140.65 85.07 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.46 108.3 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.97 -19.81 17.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 1.3100000000000001 111.01 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER 166.0 134.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 6.2199999999999998 110.306 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.574 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -37.24 131.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 5.4800000000000004 109.328 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.14 -23.78 24.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.62 110.955 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -45.62 122.97 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 1.4099999999999999 109.307 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -67.18 148.75 51.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 3.1899999999999999 109.309 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 1.3 t -159.48 161.49 35.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 2.1899999999999999 108.332 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -127.35 134.58 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 3.0499999999999998 110.311 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 1.2 t80 -100.43 127.55 46.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 1.51 111.015 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.61 ' OD1' ' CE2' ' A' ' 50' ' ' TYR . 8.5 m-20 -82.95 136.57 34.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 3.23 109.306 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.05 -15.21 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.99 110.008 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -60.68 -22.67 64.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 8.5 110.992 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -151.2 -46.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 5.5599999999999996 109.262 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.564 ' HA2' ' CZ ' ' A' ' 42' ' ' PHE . . . 126.94 0.53 7.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.47 1.107 . . . . 1.8999999999999999 111.016 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -42.5 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 4.79 109.266 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -125.01 85.48 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 2.1400000000000001 108.347 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.61 ' CE2' ' OD1' ' A' ' 43' ' ' ASP . 3.6 m-85 -67.73 64.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 3.1299999999999999 111.007 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 2.25 108.243 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.276 -0.639 . . . . 2.27 109.276 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m -51.56 142.4 14.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 2.0800000000000001 110.405 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CB ' ' CD1' ' A' ' 16' ' ' TYR . 30.3 m-85 -111.93 114.54 27.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 2.4199999999999999 110.979 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.726 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.8 OUTLIER -89.54 146.32 24.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 2.4399999999999999 109.313 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.97 -116.64 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.72999999999999998 110.971 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -148.93 163.82 36.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 2.73 109.316 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' ALA . 12.2 p -134.25 158.59 43.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 1.0900000000000001 108.279 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.511 ' O ' ' N ' ' A' ' 12' ' ' ASN . 8.3 m-85 -124.99 131.21 53.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 2.5600000000000001 110.991 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -71.0 -51.28 26.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 3.3900000000000001 109.297 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 9.7 ttpt -51.3 -54.18 28.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 4.1600000000000001 109.365 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.434 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 4.1 m-20 -81.01 -11.53 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 2.4500000000000002 109.317 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.521 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.7 t-20 40.85 68.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 2.3999999999999999 109.261 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.479 HG23 ' CE ' ' A' ' 27' ' ' LYS . 2.4 pp -152.02 170.87 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 2.1099999999999999 109.3 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -122.3 116.37 23.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 1.3500000000000001 108.3 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -100.95 155.54 17.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 4.0199999999999996 109.344 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.63 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 47.8 p90 -172.13 166.09 6.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 1.8500000000000001 111.06 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -76.3 124.04 26.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 3.6000000000000001 109.321 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 2.6099999999999999 109.278 -179.974 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.58 ' O ' ' CE2' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.316 -0.624 . . . . 4.1500000000000004 109.316 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.64 146.97 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 2.8300000000000001 109.267 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 42' ' ' PHE . 49.6 t -128.32 102.04 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.96 108.275 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' CE ' HG23 ' A' ' 13' ' ' ILE . 21.4 mmmt -39.9 142.85 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 5.6200000000000001 109.251 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 36.8 m -96.03 104.19 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.3899999999999999 108.322 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.586 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 2.8 p90 -107.6 35.62 3.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 4.3499999999999996 110.982 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.576 HG23 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER 175.28 146.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 3.5899999999999999 109.348 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 2.0 tmtt? 36.5 72.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 6.7400000000000002 109.27 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -37.53 148.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 4.2000000000000002 109.314 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -47.48 143.98 5.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 1.27 108.308 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.0 Cg_endo -75.02 -41.49 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.78000000000000003 110.937 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -174.46 139.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 6.5300000000000002 110.311 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.5 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.64 133.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 3.0499999999999998 109.286 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.34 -23.95 31.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.88 110.961 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -45.68 119.62 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 1.45 109.318 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.61 148.93 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 3.1600000000000001 109.297 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.454 ' SG ' ' HA ' ' A' ' 51' ' ' CYS . 6.2 t -163.31 162.27 25.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 2.2200000000000002 108.276 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 3.8 mp0 -124.98 143.7 50.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 3.04 110.29 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.63 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 17.3 t80 -107.22 100.4 9.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 2.02 110.981 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.602 ' OD2' ' CE2' ' A' ' 45' ' ' TYR . 5.1 t70 -62.63 121.19 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 2.8799999999999999 109.296 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 p -88.08 8.06 28.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 2.1899999999999999 109.988 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -98.42 -16.74 19.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 6.5800000000000001 111.034 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.15 -47.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 4.96 109.267 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.485 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 98.94 21.73 15.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 1.6100000000000001 110.992 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' CD ' ' OH ' ' A' ' 29' ' ' TYR . 9.7 mtmt -62.69 -110.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 6.2800000000000002 109.267 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER 163.78 80.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 2.8399999999999999 108.267 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -65.33 70.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 2.6899999999999999 111.008 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 3.1 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 3.3799999999999999 108.299 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.429 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.28 -0.637 . . . . 1.99 109.28 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.77 126.87 35.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 1.5 110.418 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.547 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 2.0 m-30 -96.37 116.2 28.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 2.8999999999999999 110.991 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.63 162.01 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 2.0800000000000001 109.298 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.2 -139.28 4.3 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.42999999999999999 111.033 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' LYS . 48.1 mttm -136.72 155.11 50.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 3.5499999999999998 109.33 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 1.3 p -127.2 159.21 35.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.05 108.292 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.573 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 7.0 m-85 -122.51 138.37 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 2.3900000000000001 110.977 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.1 ptmt -82.27 -46.03 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 2.8999999999999999 109.292 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -59.7 -22.3 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 3.8300000000000001 109.268 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' ASN . 1.9 m-20 -115.97 -8.8 11.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 2.5299999999999998 109.31 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 8' ' ' TYR . 9.6 t-20 38.26 64.76 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 2.2599999999999998 109.362 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.497 HD12 ' CD1' ' A' ' 8' ' ' TYR . 2.6 pp -139.21 -178.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 2.1600000000000001 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -133.65 103.51 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 1.8600000000000001 108.296 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -94.79 140.39 29.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 4.0099999999999998 109.334 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -164.12 -169.34 1.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 4.25 110.993 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.9 mttt -122.13 94.01 4.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 3.6200000000000001 109.337 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 1.8200000000000001 109.279 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.273 -0.64 . . . . 3.9900000000000002 109.273 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.52 ' CG1' ' CG ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER 61.8 129.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 3.0099999999999998 109.304 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 t -147.14 105.21 3.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 1.3700000000000001 108.323 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -36.06 139.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 6.3099999999999996 109.337 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 m -90.6 117.33 29.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.3600000000000001 108.28 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.491 ' CE1' ' HD3' ' A' ' 48' ' ' LYS . 8.4 p90 -103.66 9.27 37.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 4.9699999999999998 111.0 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.444 ' CG2' ' N ' ' A' ' 31' ' ' LYS . 8.1 m -125.79 -143.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 5.1600000000000001 109.272 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 2.4 mtpt -48.39 96.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 4.3899999999999997 109.318 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.2 ttpt -37.41 153.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 3.7000000000000002 109.293 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.457 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 8.5 t -64.94 140.5 98.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 1.3500000000000001 108.269 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.05 -36.37 2.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.68999999999999995 110.948 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 2.6 ptp180 -178.18 152.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 6.8499999999999996 110.263 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -48.87 129.0 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 2.9100000000000001 109.294 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.52 -26.61 23.55 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.528 1.143 . . . . 0.52000000000000002 110.957 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.484 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.31 122.01 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 1.8600000000000001 109.287 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -63.94 150.15 45.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 3.27 109.288 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -156.18 177.84 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 2.4300000000000002 108.304 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.2 pm0 -153.43 146.89 24.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 3.6699999999999999 110.283 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.4 ' HD2' ' CD2' ' A' ' 3' ' ' TYR . 30.9 t80 -113.58 110.63 20.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.8200000000000001 110.984 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.561 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 12.0 t0 -77.12 128.76 35.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 3.5800000000000001 109.269 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 p -92.3 -8.16 45.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.8400000000000001 110.037 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.561 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -58.52 -17.55 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 7.5599999999999996 111.005 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.497 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 17.9 mtpt -142.21 -61.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 4.6799999999999997 109.331 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.79 42.93 0.25 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.519 1.137 . . . . 1.8600000000000001 110.963 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -121.67 148.34 44.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 7.3499999999999996 109.296 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -86.23 105.32 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 2.2999999999999998 108.268 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -81.1 67.49 7.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 2.1200000000000001 111.061 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 2.1200000000000001 108.282 -179.934 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.596 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 2.3500000000000001 109.328 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.61 150.5 43.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 1.6499999999999999 110.408 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 56.0 m-85 -120.21 123.71 43.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 2.52 110.996 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.603 ' N ' HD21 ' A' ' 4' ' ' ASN . 1.1 m-80 -84.66 144.98 28.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 2.25 109.292 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.37 -137.98 2.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.51000000000000001 111.023 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -145.83 159.29 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 4.0199999999999996 109.313 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.405 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 1.6 p -122.76 166.37 15.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 1.0800000000000001 108.305 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.59 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 6.3 m-85 -127.42 136.75 52.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 2.5499999999999998 110.968 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' CD ' ' HA ' ' A' ' 35' ' ' ARG . 7.6 ptmt -85.16 -48.83 8.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 3.7999999999999998 109.284 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -54.37 -28.33 42.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 4.4400000000000004 109.319 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 15.7 m-20 -110.09 -15.09 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 2.6200000000000001 109.293 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 3.4 t30 49.52 60.53 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 3.1400000000000001 109.302 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.47 HD11 ' CG2' ' A' ' 25' ' ' ILE . 2.6 pp -144.72 166.28 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 1.95 109.336 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.421 ' CB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -122.46 118.11 27.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 1.3999999999999999 108.285 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 8' ' ' TYR . 5.3 mtpm? -104.47 139.19 39.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 5.04 109.3 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.808 ' CE1' ' CD2' ' A' ' 42' ' ' PHE . 47.5 p90 -152.84 161.3 42.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.9299999999999999 110.975 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.409 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 9.2 mtpp -75.77 135.83 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 4.3099999999999996 109.301 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 3.02 109.329 179.955 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.3 -0.629 . . . . 3.8100000000000001 109.3 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.47 ' CG2' HD11 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -110.71 156.78 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 3.8599999999999999 109.286 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.99 101.85 3.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.8 108.29 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.9 145.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 3.98 109.308 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 88.5 m -89.47 85.62 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.53 108.343 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.63 ' CD2' ' O ' ' A' ' 29' ' ' TYR . 29.2 p90 -107.04 46.2 0.94 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 6.0300000000000002 110.985 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.478 ' CG1' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -165.38 -66.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 5.0999999999999996 109.28 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 2.1 mptm? -115.53 105.98 13.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 4.7999999999999998 109.311 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 12.0 ttpt -50.94 152.46 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 4.1200000000000001 109.266 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 46.7 t -80.55 134.34 54.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 1.2 108.299 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.492 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -35.15 3.3 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.85999999999999999 111.029 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.468 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 5.0 ptm180 172.79 144.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 6.2000000000000002 110.293 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.59 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.5 m-20 -43.69 136.69 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 5.0499999999999998 109.308 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.05 -17.3 59.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.84999999999999998 111.005 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.492 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -55.08 118.18 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 1.45 109.31 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 9.5 tttt -62.08 148.85 42.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 3.9199999999999999 109.267 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 1.8 t -160.78 160.73 31.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 2.2599999999999998 108.265 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -121.23 118.91 30.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 3.54 110.283 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.808 ' CD2' ' CE1' ' A' ' 16' ' ' TYR . 9.0 t80 -84.75 107.34 16.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 1.3799999999999999 110.992 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.619 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 4.4 t0 -68.31 132.03 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 2.6800000000000002 109.343 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -93.02 -13.28 28.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 2.3300000000000001 109.993 -179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.619 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -65.21 -9.34 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 8.1799999999999997 110.988 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.516 ' HE2' ' CZ ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -159.32 -44.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 4.6299999999999999 109.328 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 110.87 21.17 6.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 1.3999999999999999 111.0 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' HD3' ' CG1' ' A' ' 30' ' ' VAL . 1.3 tttt -66.36 -167.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 6.0099999999999998 109.245 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -140.59 90.45 2.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 2.75 108.283 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -76.72 60.9 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 2.3399999999999999 110.988 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.9 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 1.8 108.272 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.546 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.341 -0.614 . . . . 2.2799999999999998 109.341 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 141.24 48.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 1.52 110.38 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.546 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 10.7 m-85 -109.17 117.73 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 2.6499999999999999 110.975 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.438 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -87.12 149.92 24.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 2.2200000000000002 109.295 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -178.16 -134.04 2.0 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.56999999999999995 110.991 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -141.84 161.75 37.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 3.4700000000000002 109.289 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.414 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.8 p -132.47 155.53 48.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.96999999999999997 108.286 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 12' ' ' ASN . 15.5 m-30 -114.62 135.22 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 3.79 110.989 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.7 ptmt -81.56 -46.27 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 2.75 109.319 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -56.96 -29.96 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 5.1100000000000003 109.308 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 9.5 m-20 -107.52 -11.72 15.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 2.9399999999999999 109.281 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 8' ' ' TYR . 2.8 t-20 46.2 59.43 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 2.29 109.283 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.8 pp -144.63 161.14 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 2.1000000000000001 109.311 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.52 132.27 55.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.28 108.289 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.81 173.44 9.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 5.75 109.279 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.413 ' CD1' ' HB3' ' A' ' 3' ' ' TYR . 21.1 p90 176.46 -169.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 1.8700000000000001 110.974 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.47 120.82 41.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 5.8300000000000001 109.319 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 2.0099999999999998 109.281 -179.969 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.244 -0.651 . . . . 4.0999999999999996 109.244 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.3 mt -105.65 147.78 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 2.4900000000000002 109.297 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -142.74 108.75 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.6399999999999999 108.291 179.97 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -38.1 144.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 5.96 109.32 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.426 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 14.3 m -97.61 126.12 42.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.3700000000000001 108.354 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.608 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -82.65 -143.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 7.6200000000000001 110.984 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.608 ' N ' ' CG ' ' A' ' 29' ' ' TYR . 77.2 t -31.98 -85.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 5.29 109.253 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.3 93.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 5.29 109.28 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' VAL . 14.7 ttpt -74.5 162.72 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 3.6000000000000001 109.321 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 2.4 t -74.3 141.86 77.76 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 1.25 108.319 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -37.87 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.519 1.799 . . . . 0.96999999999999997 110.974 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -178.56 147.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 5.4800000000000004 110.305 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -44.85 127.98 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 2.79 109.312 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.67 -18.25 53.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 1.1000000000000001 111.011 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.499 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -49.57 119.36 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 1.75 109.309 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 15.4 ttmt -63.93 147.95 50.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 4.1100000000000003 109.314 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.428 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 8.7 p -162.59 167.31 23.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 1.9399999999999999 108.239 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -133.21 123.79 26.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 3.8799999999999999 110.307 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE1' ' HA2' ' A' ' 47' ' ' GLY . 9.4 t80 -88.89 115.99 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 1.23 110.967 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.49 ' HB3' ' CD2' ' A' ' 45' ' ' TYR . 1.6 m-20 -74.52 117.54 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 3.0099999999999998 109.334 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.91 2.0 21.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 3.6200000000000001 109.973 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.49 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 3.4 m-85 -75.12 -45.94 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 5.6799999999999997 110.995 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.52 -43.03 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 4.29 109.292 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 115.61 18.65 6.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 1.5900000000000001 110.979 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -71.73 174.24 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 5.21 109.289 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.427 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -122.16 121.04 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 3.54 108.293 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -108.07 77.49 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 2.6800000000000002 110.994 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.427 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.97 108.318 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 2.0699999999999998 109.312 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 41' ' ' GLU . 1.2 m -71.53 141.84 50.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.6200000000000001 110.394 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.45 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 67.4 m-85 -111.25 117.6 33.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 2.3399999999999999 111.001 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.479 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -79.83 141.83 35.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 2.1000000000000001 109.357 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.95 -155.87 9.71 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.80000000000000004 110.985 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 12.3 mttt -128.39 166.92 17.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 2.7400000000000002 109.292 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -132.62 172.39 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.98999999999999999 108.294 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.559 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 7.8 m-85 -137.78 135.92 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 2.4900000000000002 110.99 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -58.46 -71.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 4.3700000000000001 109.348 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' LYS . 2.6 ttmm -39.35 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 4.46 109.317 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.432 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -52.5 -21.4 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 2.4199999999999999 109.285 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.559 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 10.3 t-20 40.35 63.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 2.23 109.359 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.8 pp -141.49 -174.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 2.04 109.286 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' CYS . 2.6 t -135.76 107.72 7.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.24 108.288 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HG3' ' CD1' ' A' ' 13' ' ' ILE . 48.2 mttt -89.2 130.13 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 4.0999999999999996 109.293 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.758 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 4.9 p90 -149.62 162.91 39.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.76 111.017 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -70.36 153.35 43.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 3.4500000000000002 109.318 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 3.21 109.286 179.982 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.279 -0.638 . . . . 3.4100000000000001 109.279 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.469 ' CG2' HD11 ' A' ' 13' ' ' ILE . 5.1 mt -108.33 148.01 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 2.98 109.265 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -133.5 102.56 5.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.99 108.304 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -39.74 146.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 6.5300000000000002 109.301 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 7.6 m -80.05 -177.74 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 1.76 108.268 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.568 ' CD2' HG22 ' A' ' 30' ' ' VAL . 18.6 t80 179.37 155.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 4.8700000000000001 111.003 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.568 HG22 ' CD2' ' A' ' 29' ' ' TYR . 17.4 t 66.13 -74.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 4.3200000000000003 109.315 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' TYR . 7.1 mmtt -114.54 90.25 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 5.9199999999999999 109.324 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -42.71 163.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 4.79 109.269 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 39.3 t -58.43 136.34 85.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 1.26 108.346 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.96 -34.27 4.0 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.72999999999999998 111.02 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 176.06 144.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 5.79 110.276 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.28 134.33 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.42 1.075 . . . . 2.9399999999999999 109.26 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 94.98 -26.8 17.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.59999999999999998 111.011 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -39.99 121.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 1.8799999999999999 109.324 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 20.1 ttpt -69.21 147.74 50.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 3.0699999999999998 109.298 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 17.0 t -159.95 162.0 34.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 2.3799999999999999 108.27 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.44 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -128.61 131.67 48.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 3.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.758 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 51.8 t80 -93.87 105.71 17.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 1.1299999999999999 111.031 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.444 ' HB2' ' CD2' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -67.09 119.38 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 4.1799999999999997 109.296 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.59 2.61 24.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.8700000000000001 109.977 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 43' ' ' ASP . 2.3 m-85 -74.64 -37.71 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 5.9100000000000001 110.998 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -129.59 -50.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 3.8599999999999999 109.296 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.523 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 118.53 35.21 1.01 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 1.1299999999999999 111.002 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -94.42 -172.21 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 4.1399999999999997 109.279 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.88 104.29 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 2.8900000000000001 108.319 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -84.25 46.7 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 3.8300000000000001 111.028 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.5 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 1.98 108.282 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.264 -0.643 . . . . 1.8700000000000001 109.264 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.66 122.16 20.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.8100000000000001 110.375 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.449 ' CD2' ' HA ' ' A' ' 18' ' ' ALA . 6.5 m-85 -88.17 118.0 27.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 2.5099999999999998 111.013 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.649 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.9 OUTLIER -88.7 160.49 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 2.29 109.281 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.98 -135.89 2.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.45000000000000001 111.005 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -152.58 148.43 27.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 2.6899999999999999 109.305 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.496 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 13.0 t -123.46 154.71 38.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 3.25 108.324 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.837 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.6 m-30 -117.42 123.89 47.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 3.6800000000000002 110.998 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.456 ' N ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -46.36 -60.86 2.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 3.0600000000000001 109.299 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -45.11 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 4.6299999999999999 109.299 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.514 ' O ' ' C ' ' A' ' 12' ' ' ASN . 27.2 m-20 -62.77 -13.2 30.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 2.9900000000000002 109.321 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.837 ' N ' ' O ' ' A' ' 8' ' ' TYR . 46.7 t30 31.93 61.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 2.9900000000000002 109.292 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.494 ' CD1' HG22 ' A' ' 25' ' ' ILE . 1.8 pp -138.92 145.16 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.6499999999999999 109.315 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 0.5 OUTLIER -82.2 94.04 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.9399999999999999 108.321 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HG2' ' CG1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -88.77 108.05 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 4.8499999999999996 109.322 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.604 ' OH ' ' CD1' ' A' ' 42' ' ' PHE . 55.4 p90 -153.45 -179.61 7.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.5700000000000001 111.049 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 1.2 mmpt? -77.0 -128.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 3.8999999999999999 109.319 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 2.7200000000000002 109.333 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.302 -0.629 . . . . 3.7400000000000002 109.302 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.494 HG22 ' CD1' ' A' ' 13' ' ' ILE . 10.1 mt 72.18 138.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 2.6099999999999999 109.266 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' LYS . 48.8 t -159.09 112.07 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 1.52 108.283 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 3.0 mtpt -37.06 141.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 5.6100000000000003 109.315 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.09 89.84 8.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.5800000000000001 108.292 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 5.3 p90 -59.64 130.85 48.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 5.2000000000000002 111.005 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 6.3 t 59.74 -84.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 5.5199999999999996 109.268 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -42.96 164.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 5.4299999999999997 109.313 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -139.2 150.06 45.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 3.1699999999999999 109.332 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -79.07 140.72 57.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 1.6000000000000001 108.288 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.491 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.01 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 1.0600000000000001 110.997 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -167.51 142.68 3.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 4.5300000000000002 110.265 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.74 139.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 3.6899999999999999 109.297 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 95.96 -25.59 24.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.65000000000000002 111.043 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.491 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -38.64 115.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 1.3700000000000001 109.279 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.83 148.86 37.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 3.0899999999999999 109.309 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.48 157.77 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 2.48 108.291 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.59 150.67 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 4.79 110.288 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.604 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 64.6 t80 -117.48 107.73 14.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 1.1799999999999999 110.993 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.606 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 3.4 t70 -68.85 122.86 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 3.1899999999999999 109.307 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -91.98 17.33 9.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 1.77 110.01 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.632 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -107.0 -17.28 14.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 6.6100000000000003 111.002 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -123.24 -56.66 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 5.5099999999999998 109.326 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.91 28.71 2.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.446 1.091 . . . . 1.6100000000000001 111.03 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.0 mtmm -109.7 171.06 7.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 4.25 109.312 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.64 99.09 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 2.4500000000000002 108.329 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -73.98 82.89 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 2.0099999999999998 110.98 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.97 108.301 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.285 -0.635 . . . . 1.72 109.285 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 124.23 43.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 1.5800000000000001 110.348 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.607 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -93.06 124.72 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 2.8500000000000001 111.007 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.72 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.8 OUTLIER -89.66 164.41 14.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 2.1499999999999999 109.297 179.966 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.83 -141.15 5.49 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.45000000000000001 111.03 179.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 18.3 mttt -142.23 159.98 41.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 2.6899999999999999 109.258 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -132.15 153.98 49.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 1.1200000000000001 108.279 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 18.2 m-30 -114.49 153.6 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 3.23 110.999 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -93.48 -48.04 6.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 3.02 109.304 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -55.51 -26.13 41.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 4.04 109.234 -179.956 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.91 -12.57 12.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 2.4199999999999999 109.296 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.561 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 34.5 t30 42.81 60.41 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 2.52 109.285 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.7 pp -135.85 -179.4 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 2.1600000000000001 109.299 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 6.9 t -134.65 104.62 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.3100000000000001 108.272 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 8' ' ' TYR . 10.6 ptmt -97.4 128.47 44.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 4.3700000000000001 109.298 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.564 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 1.4 p90 -156.59 174.64 15.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.8899999999999999 110.992 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.05 99.73 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 4.7800000000000002 109.282 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.489 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 2.2200000000000002 109.355 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 3.7000000000000002 109.309 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.515 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 2.7 mt 61.11 138.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 3.0499999999999998 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' LYS . 27.4 t -156.08 112.45 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.45 108.287 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 26' ' ' CYS . 27.7 mttt -33.14 139.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 4.4500000000000002 109.284 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -67.08 -165.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.95 108.281 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -126.23 -159.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 5.4299999999999997 110.98 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -39.45 -75.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 4.9800000000000004 109.305 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -62.03 91.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 4.1600000000000001 109.263 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HB3' ' OD1' ' A' ' 12' ' ' ASN . 14.7 mtmt -48.62 173.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 4.3700000000000001 109.299 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.467 ' SG ' ' HD2' ' A' ' 34' ' ' PRO . 0.6 OUTLIER -74.78 143.26 78.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.3799999999999999 108.29 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.467 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.2 Cg_endo -75.02 -44.03 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.95999999999999996 110.997 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.9 OUTLIER -170.18 137.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 6.2999999999999998 110.303 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.529 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.94 131.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 3.0499999999999998 109.296 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 107.17 -26.83 17.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.81999999999999995 111.005 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -38.3 120.32 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 1.73 109.346 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 151.05 47.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 4.04 109.335 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.419 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.3 p -155.25 174.41 15.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 2.2400000000000002 108.298 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.2 pm0 -146.61 133.9 20.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 3.5 110.335 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.45 ' CD2' ' OH ' ' A' ' 16' ' ' TYR . 55.3 t80 -94.93 107.54 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.4199999999999999 110.981 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.6 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 4.2 t0 -78.32 136.44 37.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 3.6600000000000001 109.347 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 p -98.5 -10.34 23.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 2.1299999999999999 109.958 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.6 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -65.86 -10.92 42.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 7.4800000000000004 111.025 179.983 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 22.0 mttt -149.41 -55.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 4.1799999999999997 109.334 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.87 34.05 1.44 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 1.3200000000000001 111.043 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.443 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -86.94 -157.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 4.4800000000000004 109.291 -179.948 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -152.91 85.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 2.1800000000000002 108.284 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -67.6 82.84 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 2.0499999999999998 111.027 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.1 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 2.0099999999999998 108.284 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.289 -0.634 . . . . 1.8 109.289 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.28 138.8 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.49 110.398 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 9.8 m-85 -110.61 117.38 33.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 2.5600000000000001 111.0 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.419 ' N ' HD21 ' A' ' 4' ' ' ASN . 2.1 m-80 -88.94 157.43 18.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 2.5099999999999998 109.309 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.78 -129.14 1.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.51000000000000001 110.976 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 15' ' ' LYS . 13.5 mttt -142.57 168.64 19.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 0.788 . . . . 2.9199999999999999 109.316 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 38' ' ' ALA . 1.6 p -140.84 155.01 46.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 1.03 108.299 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.621 ' CE2' ' HD2' ' A' ' 15' ' ' LYS . 38.0 m-85 -117.39 125.95 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 3.2200000000000002 111.017 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -65.18 -48.64 72.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 3.3199999999999998 109.349 179.949 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 2.9 tttm -51.99 -60.0 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 4.2699999999999996 109.308 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 12' ' ' ASN . 1.7 m-20 -78.97 -3.85 47.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 3.0699999999999998 109.322 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.592 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.0 t-20 36.83 58.96 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 2.25 109.319 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.483 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -136.79 179.29 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 2.0699999999999998 109.35 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.84 114.22 14.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.28 108.272 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.621 ' HD2' ' CE2' ' A' ' 8' ' ' TYR . 6.7 ptmm? -95.54 124.03 39.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 5.6399999999999997 109.306 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 24' ' ' ALA . 18.2 p90 -150.52 173.26 14.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.76 110.978 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.604 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 4.6 mttt -72.23 163.26 28.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 4.2800000000000002 109.309 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 3.6200000000000001 109.277 -179.986 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.604 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.314 -0.625 . . . . 3.8100000000000001 109.314 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 mt -104.23 136.89 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 2.7999999999999998 109.305 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' LYS . 26.3 p -132.66 109.23 9.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 2.7400000000000002 108.338 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 23.8 mtmt -39.11 154.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 4.1900000000000004 109.276 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.062 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.7 m -95.65 151.38 19.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.1599999999999999 108.289 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -86.64 -166.29 1.52 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 4.8899999999999997 110.986 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -36.47 -54.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 5.8700000000000001 109.311 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.35 79.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 5.2400000000000002 109.331 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' VAL . 18.6 ttpt -54.52 155.19 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 3.96 109.342 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 8' ' ' TYR . 1.7 m -66.56 150.04 97.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 2.8700000000000001 108.298 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.05 -46.19 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.91000000000000003 110.954 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.478 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.7 ptt85 -172.95 138.07 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 4.6699999999999999 110.277 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -33.35 135.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 3.04 109.343 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.35 -25.29 25.12 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.76000000000000001 111.01 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -40.67 121.62 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 0.738 . . . . 1.77 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -66.83 146.35 54.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 3.3500000000000001 109.306 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 1.3 p -153.49 179.37 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 2.21 108.288 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.0 pm0 -147.8 139.86 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 3.5099999999999998 110.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CD1' ' CD2' ' A' ' 3' ' ' TYR . 33.4 t80 -103.57 108.24 19.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 1.54 111.002 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.416 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 4.4 t0 -74.71 132.45 41.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 2.7999999999999998 109.298 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 p -95.44 -1.03 51.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 1.9399999999999999 109.992 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -72.09 -13.67 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 7.6600000000000001 111.027 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 21.4 mttt -147.9 -62.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 3.8999999999999999 109.293 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.59 41.21 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 1.45 110.999 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -161.48 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 5.29 109.348 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' CYS . 12.5 t -140.56 90.3 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 2.4199999999999999 108.29 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.07 59.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.73 110.992 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 1.062 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 4.4 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 2.23 108.296 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 2.0299999999999998 109.3 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.69 145.56 31.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 2.0299999999999998 110.413 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -117.99 116.31 26.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 2.2999999999999998 110.995 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.01 155.94 20.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.97 109.325 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.04 -136.89 2.26 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.51000000000000001 111.016 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -144.55 158.98 43.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.787 . . . . 2.6800000000000002 109.283 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.5 p -131.94 171.87 13.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.04 108.329 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.573 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 77.9 m-85 -139.05 134.85 33.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 3.29 110.976 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.4 mttt -56.58 -72.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 4.3600000000000003 109.294 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -38.4 -77.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 4.7699999999999996 109.306 179.97 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -51.34 -22.18 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 2.3799999999999999 109.316 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 8.4 t-20 41.27 61.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 2.2599999999999998 109.305 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.504 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.0 pp -138.9 177.95 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 1.96 109.285 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.316 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 24.3 t -129.84 99.72 5.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 1.1599999999999999 108.249 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 25' ' ' ILE . 0.4 OUTLIER -93.52 137.27 32.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 3.6899999999999999 109.291 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.497 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 3.0 p90 -165.51 -176.58 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 1.5900000000000001 110.984 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -108.59 111.14 22.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 4.6900000000000004 109.322 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 2.1899999999999999 109.259 -179.944 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.297 -0.631 . . . . 3.6699999999999999 109.297 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.558 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 4.3 mt 61.19 139.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 3.2000000000000002 109.315 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 27' ' ' LYS . 35.2 t -157.62 115.31 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 1.71 108.296 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 26' ' ' CYS . 5.6 mtpt -35.74 136.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 4.75 109.294 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.41 ' SG ' ' C ' ' A' ' 13' ' ' ILE . 58.5 m -89.34 131.22 35.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.4199999999999999 108.306 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.51 ' CZ ' ' HG2' ' A' ' 48' ' ' LYS . 2.9 p90 -114.33 133.55 55.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 4.5099999999999998 110.993 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 32' ' ' LYS . 3.2 t 64.09 -78.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 4.6699999999999999 109.293 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -68.79 65.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 5.3499999999999996 109.299 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -50.06 164.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 4.2599999999999998 109.29 -179.978 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.494 ' SG ' ' CA ' ' A' ' 8' ' ' TYR . 36.2 t -69.7 135.86 88.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.27 108.298 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.477 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -35.12 3.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 1.1200000000000001 111.007 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 10.2 ptt180 179.32 145.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 5.4699999999999998 110.276 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.521 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.73 135.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 2.9399999999999999 109.273 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 88.62 -23.84 14.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.67000000000000004 111.004 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.477 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -39.29 121.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.776 . . . . 1.4099999999999999 109.318 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 147.82 49.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 2.9399999999999999 109.323 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 1.219 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 40.1 t -153.66 161.98 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 2.2400000000000002 108.313 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.49 135.3 46.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 3.1800000000000002 110.278 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.473 ' CD2' ' OH ' ' A' ' 16' ' ' TYR . 29.2 t80 -98.86 110.95 23.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 1.3600000000000001 110.979 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.496 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 2.3 t0 -77.0 134.03 38.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 2.8999999999999999 109.297 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.5 p -95.4 -11.72 27.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.8400000000000001 109.972 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -63.85 -10.81 22.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 7.7400000000000002 110.977 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 11.1 mttt -147.4 -56.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 3.9199999999999999 109.279 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.78 42.39 0.8 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 1.3100000000000001 111.011 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -104.63 -161.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 3.9199999999999999 109.271 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 1.104 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -139.24 94.83 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 2.1000000000000001 108.302 179.947 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 10.9 m-85 -77.57 52.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.76 110.978 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 1.316 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 82.4 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 2.8999999999999999 108.315 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.485 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.265 -0.643 . . . . 1.74 109.265 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -82.99 146.88 28.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 1.8100000000000001 110.416 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.503 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 1.8 m-30 -106.51 177.41 4.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 2.6800000000000002 110.997 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.77 151.09 44.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 2.3399999999999999 109.274 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.28 -143.33 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 0.40999999999999998 110.99 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' LYS . 48.0 mttt -143.88 146.25 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 2.75 109.33 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 29.9 p -117.23 153.27 33.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 1.1299999999999999 108.304 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 8.1 m-30 -113.83 139.11 49.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 3.6499999999999999 110.986 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -78.35 -47.32 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 3.3799999999999999 109.306 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -52.84 -39.98 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 3.77 109.322 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.437 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 87.6 m-20 -101.91 -5.54 24.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 2.73 109.336 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 22.2 t30 38.96 51.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 2.5800000000000001 109.308 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.467 ' CD1' HG21 ' A' ' 25' ' ' ILE . 2.8 pp -135.36 154.38 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 1.9399999999999999 109.315 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 9.0 t -102.2 108.64 20.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.29 108.308 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -94.69 129.85 41.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 4.3399999999999999 109.326 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.515 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 2.1 p90 -164.96 158.49 17.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 1.76 110.995 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.573 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 24.4 mmtt -56.59 -103.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 4.8399999999999999 109.325 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 2.5899999999999999 109.258 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.291 -0.633 . . . . 4.0 109.291 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 8.7 mt 61.21 142.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 2.71 109.282 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' CYS . 35.4 t -157.04 103.97 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 1.3600000000000001 108.279 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' CYS . 19.4 ttpt -36.36 151.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 4.9900000000000002 109.307 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.17 100.54 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.3100000000000001 108.289 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.556 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -92.56 12.39 23.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 4.5899999999999999 111.022 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -114.87 -104.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 5.4100000000000001 109.311 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' LYS . 1.9 ttmt -106.98 124.58 49.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 4.1399999999999997 109.263 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.499 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 11.5 ttpt -39.6 148.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 4.9199999999999999 109.312 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.438 ' N ' ' HG2' ' A' ' 32' ' ' LYS . 3.5 m -70.16 148.09 95.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 2.98 108.308 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.468 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.0 Cg_endo -75.07 -50.4 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.769 . . . . 0.71999999999999997 111.02 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.9 ptt180 -169.25 142.28 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 4.5599999999999996 110.267 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.35 125.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 3.48 109.323 179.935 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.81 -24.1 20.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.56999999999999995 110.975 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -42.61 117.35 1.01 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 0.732 . . . . 1.4099999999999999 109.285 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 4.4 tttt -58.98 149.25 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 3.6499999999999999 109.253 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.426 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 25.1 t -159.38 161.97 35.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 2.1699999999999999 108.331 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 1.3 pm0 -138.51 137.81 37.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 3.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CD1' ' CE2' ' A' ' 3' ' ' TYR . 22.1 t80 -97.78 118.62 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.54 111.023 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.437 ' CG ' ' CE1' ' A' ' 50' ' ' TYR . 1.1 m-20 -84.63 135.28 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 2.8199999999999998 109.305 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.0 p -96.02 11.33 34.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 1.9399999999999999 110.012 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.559 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -84.8 -34.67 22.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 6.29 110.997 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -131.87 -45.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 3.9100000000000001 109.283 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.86 19.04 5.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.98999999999999999 110.974 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -68.78 -167.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 5.1299999999999999 109.303 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.475 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -144.39 89.54 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 2.1299999999999999 108.322 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 36.4 m-85 -66.69 68.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 2.1600000000000001 111.004 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 49' ' ' CYS . 6.9 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.8100000000000001 108.353 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.287 -0.635 . . . . 2.1499999999999999 109.287 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.457 ' CG2' ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -97.02 121.74 39.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 1.8500000000000001 110.439 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 21.1 m-85 -83.7 122.43 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 2.6299999999999999 110.999 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.478 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -84.5 160.01 20.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 2.25 109.307 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.97 -154.78 14.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.73999999999999999 111.004 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.403 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 31.2 mttt -138.49 156.96 47.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 3.1899999999999999 109.274 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -127.98 151.87 48.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 1.1399999999999999 108.324 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.568 ' CE2' ' HE3' ' A' ' 15' ' ' LYS . 17.2 m-30 -115.19 146.07 41.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 3.27 110.974 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.477 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -83.99 -45.84 12.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 2.7999999999999998 109.327 179.968 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 1.6 tttt -58.27 -25.37 61.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 5.2599999999999998 109.307 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.437 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 6.2 m-20 -113.71 -11.21 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 3.1099999999999999 109.317 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 4.9 t30 39.39 56.03 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 2.9399999999999999 109.285 -180.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 25' ' ' ILE . 2.9 pp -133.6 172.89 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.95 109.265 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -125.33 104.09 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 1.9399999999999999 108.304 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.568 ' HE3' ' CE2' ' A' ' 8' ' ' TYR . 9.3 ptpt -97.23 136.25 38.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 3.6499999999999999 109.304 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.651 ' CE2' ' CB ' ' A' ' 42' ' ' PHE . 3.7 p90 -171.23 172.25 5.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.6699999999999999 110.964 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 3' ' ' TYR . 9.7 mmmt -96.61 134.32 40.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 4.21 109.264 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 2.7400000000000002 109.327 179.987 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.281 -0.637 . . . . 3.3999999999999999 109.281 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.535 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 2.1 mt 61.49 135.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 2.8100000000000001 109.296 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.512 ' O ' ' C ' ' A' ' 27' ' ' LYS . 10.6 t -155.75 111.17 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 1.51 108.275 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 26' ' ' CYS . 13.9 mttt -31.49 143.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 5.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 49.8 m -78.29 84.25 4.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.5700000000000001 108.316 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.603 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 0.8 OUTLIER -59.12 117.6 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 6.21 111.024 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.5 ' CG1' ' C ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 68.62 146.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 4.7800000000000002 109.336 -179.959 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.21 -177.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 5.71 109.267 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.522 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 17.9 ttmt -138.99 146.5 40.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 4.2599999999999998 109.289 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.477 ' HB3' ' CA ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -62.79 143.61 96.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 1.5 108.317 179.981 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.3 Cg_endo -75.0 -45.86 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 1.02 110.989 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER -168.6 139.05 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 5.7999999999999998 110.282 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.489 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.23 125.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 2.6200000000000001 109.305 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 113.13 -24.63 12.37 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.48 1.113 . . . . 0.87 110.964 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.425 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -38.36 121.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.735 . . . . 1.55 109.312 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 152.68 25.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 4.0099999999999998 109.28 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 49' ' ' CYS . 5.5 p -155.55 174.93 14.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 2.3199999999999998 108.271 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -156.53 132.71 9.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 3.52 110.316 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.651 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 56.3 t80 -100.44 94.81 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.1699999999999999 111.029 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.473 ' CG ' ' CE1' ' A' ' 50' ' ' TYR . 3.6 m-20 -56.91 116.35 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 3.3300000000000001 109.279 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.3 p -74.83 -1.32 21.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 2.3599999999999999 109.96 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.493 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -79.7 -22.34 43.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 6.4699999999999998 111.04 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -140.07 -47.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 4.5099999999999998 109.323 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.563 ' HA2' ' CZ ' ' A' ' 42' ' ' PHE . . . 108.37 50.54 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.113 . . . . 1.3799999999999999 111.01 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.584 ' CD ' ' CE2' ' A' ' 29' ' ' TYR . 13.7 mmtp -83.52 -105.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 4.1600000000000001 109.323 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 29' ' ' TYR . 1.8 p 158.15 -25.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 3.77 108.298 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.473 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 64.5 m-85 37.5 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 2.6000000000000001 110.965 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 2.1800000000000002 108.313 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.318 -0.623 . . . . 1.95 109.318 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.47 138.37 32.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 1.75 110.368 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.497 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 7.7 m-30 -88.28 -176.64 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 3.48 110.996 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -148.49 140.82 24.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 2.2400000000000002 109.311 180.0 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.92 -142.21 3.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.13 . . . . 0.41999999999999998 110.963 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' LYS . 21.1 mttm -135.8 159.27 42.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 2.8500000000000001 109.343 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ALA . 2.1 p -132.35 152.05 51.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 1.0 108.333 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 12' ' ' ASN . 18.6 m-30 -115.19 139.09 50.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 3.04 110.991 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -80.21 -47.76 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 3.2400000000000002 109.289 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.31 -29.05 63.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 5.0199999999999996 109.32 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.425 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 5.2 m-20 -107.96 -10.57 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 2.5099999999999998 109.347 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.551 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 11.9 t-20 42.36 54.84 4.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 2.4199999999999999 109.351 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.468 ' CD1' HG21 ' A' ' 25' ' ' ILE . 2.7 pp -137.21 169.36 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 1.9099999999999999 109.345 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 1.8 t -126.19 103.81 7.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.27 108.24 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 25' ' ' ILE . 3.0 ptmt -96.06 129.24 43.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 3.8100000000000001 109.28 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.574 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 1.1 p90 -154.39 179.54 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.79 111.014 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.18 99.39 8.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 3.3500000000000001 109.286 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 2.3399999999999999 109.307 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.299 -0.63 . . . . 3.5699999999999998 109.299 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.538 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 4.4 mt 60.59 136.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 2.73 109.324 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 27' ' ' LYS . 2.0 t -153.34 104.45 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.3799999999999999 108.319 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 26' ' ' CYS . 4.6 mtpt -36.63 138.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 6.2999999999999998 109.276 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -86.87 124.23 32.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 2.1600000000000001 108.344 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.573 ' CE1' ' HD2' ' A' ' 48' ' ' LYS . 1.4 p90 -112.67 13.41 19.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 4.7199999999999998 111.008 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.562 HG22 ' CE1' ' A' ' 29' ' ' TYR . 79.6 t -119.23 -104.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 4.5899999999999999 109.304 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -94.06 98.65 11.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 3.9500000000000002 109.27 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -36.64 149.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 4.8499999999999996 109.3 179.947 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 2.1 t -60.77 139.54 93.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 1.3600000000000001 108.324 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.523 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.96 -46.63 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.533 1.807 . . . . 0.76000000000000001 111.017 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.1 ptt180 -164.31 136.86 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 4.8499999999999996 110.264 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.515 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -36.12 130.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 3.21 109.303 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.25 -26.22 24.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.56999999999999995 110.989 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.523 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.36 124.47 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 1.3999999999999999 109.339 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' NZ ' ' OE2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -68.83 150.29 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 3.8100000000000001 109.235 -179.941 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.431 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -149.77 -177.17 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 2.2999999999999998 108.273 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 40' ' ' CYS . 1.1 pm0 -153.87 122.59 6.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 2.9100000000000001 110.313 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.587 ' CE2' ' HA2' ' A' ' 47' ' ' GLY . 1.8 t80 -91.61 118.48 30.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 1.6699999999999999 111.019 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.602 ' CG ' ' CE1' ' A' ' 50' ' ' TYR . 1.3 m-20 -76.01 125.67 29.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 2.5499999999999998 109.313 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.78 1.46 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 3.6899999999999999 109.956 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.66 -40.83 9.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 5.9199999999999999 110.991 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -117.15 -40.38 3.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 4.79 109.283 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.587 ' HA2' ' CE2' ' A' ' 42' ' ' PHE . . . 83.8 62.78 1.73 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 1.8200000000000001 111.003 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 29' ' ' TYR . 2.9 mmtt -101.07 -88.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 5.2999999999999998 109.305 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 1.8 p 157.35 -22.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 3.8700000000000001 108.332 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.602 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 40.9 m-85 37.66 76.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 2.4500000000000002 110.99 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 76.4 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 2.1200000000000001 108.334 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.28 -0.637 . . . . 2.1099999999999999 109.28 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.406 ' OG1' ' OH ' ' A' ' 45' ' ' TYR . 3.2 m -56.64 130.45 45.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 1.75 110.439 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -93.31 117.56 30.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 2.4700000000000002 111.021 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.32 155.18 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 2.5 109.306 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.35 -150.09 10.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.75 110.986 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -142.82 160.91 39.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 3.52 109.336 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.475 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 25.3 t -128.71 156.38 43.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 3.3399999999999999 108.314 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.599 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 8.6 m-30 -116.47 148.59 40.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 3.7599999999999998 111.001 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 8.5 ptmt -85.31 -50.62 7.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 2.9399999999999999 109.321 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 4.1 tttt -53.36 -31.98 47.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 3.96 109.276 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.5 ' CB ' HG13 ' A' ' 13' ' ' ILE . 13.7 m-20 -105.87 -16.74 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 3.1299999999999999 109.333 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.599 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 7.0 t30 45.62 53.96 8.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 2.5699999999999998 109.309 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.5 HG13 ' CB ' ' A' ' 11' ' ' ASP . 1.2 pp -144.8 145.98 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 2.1899999999999999 109.3 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -93.86 112.5 24.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 1.6000000000000001 108.267 -179.977 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 6' ' ' LYS . 2.7 mptt -97.74 105.68 17.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 6.2400000000000002 109.298 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 17' ' ' LYS . 11.4 p90 -134.53 -170.46 2.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.74 110.979 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 9.0 mmtt -80.53 154.58 27.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 3.46 109.294 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 3.77 109.301 179.994 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.283 -0.636 . . . . 4.4199999999999999 109.283 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.471 ' CG2' ' HB ' ' A' ' 13' ' ' ILE . 4.9 mt -111.95 142.91 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 3.3599999999999999 109.312 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' LYS . 21.6 p -149.75 106.97 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 2.8100000000000001 108.276 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' CYS . 30.9 mttt -39.5 146.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 4.0899999999999999 109.298 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.477 ' HA ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -78.15 120.0 22.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.76 108.346 179.96 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.437 ' CD2' ' O ' ' A' ' 29' ' ' TYR . 3.5 p90 -99.83 12.04 37.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 7.1500000000000004 110.971 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.463 HG23 ' C ' ' A' ' 51' ' ' CYS . 12.7 m -98.25 -139.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 6.8700000000000001 109.303 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -95.63 47.14 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 8.9499999999999993 109.288 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.542 ' HG2' ' N ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER 58.64 144.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 5.8300000000000001 109.287 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.542 ' N ' ' HG2' ' A' ' 32' ' ' LYS . 1.3 t -60.38 141.83 91.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 1.3999999999999999 108.298 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.2 Cg_endo -75.04 -33.54 4.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 1.1499999999999999 110.943 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.16 151.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 4.96 110.342 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.54 128.32 28.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 2.7999999999999998 109.31 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.79 -23.24 17.62 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.66000000000000003 110.947 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.18 114.86 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 1.74 109.286 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 17.4 tttt -61.91 150.61 37.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 3.6800000000000002 109.325 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -164.8 160.57 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 2.2999999999999998 108.288 -179.998 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 2.1 mt-10 -129.78 141.68 50.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 3.6400000000000001 110.293 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 34.1 t80 -100.17 107.92 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.6699999999999999 111.01 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.49 ' OD1' ' CE1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -69.23 106.38 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 2.8900000000000001 109.301 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -76.39 0.42 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.6699999999999999 109.986 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 1.4 m-85 -76.68 -34.97 58.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 6.2599999999999998 111.013 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -127.2 -45.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 4.9199999999999999 109.329 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.95 33.46 3.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 1.22 110.985 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 49' ' ' CYS . 31.7 mmtm -71.24 -117.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 4.4500000000000002 109.278 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 158.87 85.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 2.52 108.298 -179.977 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.49 ' CE1' ' OD1' ' A' ' 43' ' ' ASP . 4.6 m-85 -67.91 59.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 2.3599999999999999 110.972 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.477 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 3.6 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 2.54 108.295 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.475 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.297 -0.631 . . . . 1.8300000000000001 109.297 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 m -64.09 143.01 58.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 1.5 110.416 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 6.2 m-30 -97.75 -163.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 3.77 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 8.1 m-80 -155.59 141.27 17.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 2.5600000000000001 109.331 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.81 -135.09 1.8 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.41999999999999998 111.003 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -146.98 160.01 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 3.4700000000000002 109.303 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 p -134.91 153.41 52.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.97999999999999998 108.334 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 17.3 m-30 -114.8 134.4 55.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 3.02 111.043 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -75.37 -48.35 23.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 2.8500000000000001 109.327 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 1.7 ttmt -54.76 -47.9 73.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 4.4500000000000002 109.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.446 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 73.3 m-20 -89.79 -6.14 56.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 3.3100000000000001 109.332 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.517 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.5 t-20 38.67 61.09 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 2.4100000000000001 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.521 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.0 pp -142.86 165.3 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 2.3399999999999999 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.526 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 2.5 t -123.48 110.81 15.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.27 108.312 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HG2' ' CG1' ' A' ' 25' ' ' ILE . 1.4 mtpm? -104.68 135.47 46.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 3.29 109.292 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.612 ' CE2' HG23 ' A' ' 23' ' ' THR . 2.2 p90 -164.23 157.2 17.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 1.3999999999999999 111.039 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.96 109.27 18.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 5.1500000000000004 109.278 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.468 ' HB1' ' CB ' ' A' ' 23' ' ' THR . . . -52.27 160.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.9299999999999999 109.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -57.1 -20.19 24.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 4.2000000000000002 110.313 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.41 14.51 5.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 3.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.0 4.25 54.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.145 . . . . 2.96 110.993 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -68.18 -66.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 7.1299999999999999 109.32 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.612 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.28 -173.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 5.6900000000000004 110.397 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.585 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . -179.07 -153.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 3.29 109.305 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.487 ' CG1' ' HG2' ' A' ' 15' ' ' LYS . 1.4 mp -43.66 141.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 2.79 109.272 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' LYS . 42.4 t -146.91 108.98 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 1.3899999999999999 108.321 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -34.03 140.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 5.7199999999999998 109.328 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.432 ' CB ' ' ND2' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -76.55 77.25 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.6599999999999999 108.24 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.516 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 6.3 t80 -62.68 114.38 3.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 5.8799999999999999 110.955 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 74.54 146.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 4.54 109.302 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER 39.38 74.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 3.8599999999999999 109.269 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 33' ' ' CYS . 3.7 ttmt -40.68 160.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 5.4400000000000004 109.326 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -56.59 144.34 64.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 1.3200000000000001 108.298 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.01 -45.03 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.563 1.823 . . . . 0.85999999999999999 110.972 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -167.49 137.76 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 4.8399999999999999 110.301 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.35 132.04 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 2.9900000000000002 109.352 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.4 -19.9 52.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.54000000000000004 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.472 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -44.41 118.05 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 1.6499999999999999 109.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HE3' ' N ' ' A' ' 40' ' ' CYS . 1.6 tmpt? -62.67 146.98 50.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 3.8700000000000001 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.502 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -157.46 153.23 26.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 2.21 108.316 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' OE1' ' ND2' ' A' ' 4' ' ' ASN . 23.1 mt-10 -116.83 150.91 37.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 3.8700000000000001 110.322 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.608 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 75.8 t80 -106.45 99.38 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.22 110.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.586 ' CG ' ' CE1' ' A' ' 50' ' ' TYR . 1.7 m-20 -62.28 122.29 15.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 2.6899999999999999 109.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.2 p -90.84 24.73 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 2.1200000000000001 109.975 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -111.59 -24.18 10.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 5.9900000000000002 110.97 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -131.89 -51.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 4.9900000000000002 109.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.88 25.06 4.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 1.0700000000000001 111.029 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -148.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 3.73 109.305 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.414 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -159.23 70.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 2.6299999999999999 108.281 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.586 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 8.6 m-85 -45.89 95.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 1.96 111.038 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.526 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 50.7 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 2.4199999999999999 108.316 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.587 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.308 -0.627 . . . . 1.8600000000000001 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.93 126.87 31.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.5600000000000001 110.354 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 3.8 m-30 -85.55 -165.94 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 3.8399999999999999 110.972 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 4.5 m-80 -154.9 144.57 21.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 2.8500000000000001 109.241 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.38 -132.42 1.42 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.51000000000000001 111.012 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -144.55 166.55 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 2.8300000000000001 109.264 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' ALA . 5.8 p -142.18 154.1 44.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.96999999999999997 108.297 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 17.6 m-30 -114.27 141.0 48.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 2.9700000000000002 111.01 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -81.43 -47.91 12.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 2.8399999999999999 109.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -54.34 -38.21 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 5.7199999999999998 109.318 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 12' ' ' ASN . 1.5 m-20 -102.01 -7.57 22.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 2.4300000000000002 109.332 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.581 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 55.3 t30 38.35 58.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 2.4700000000000002 109.258 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.8 pp -136.61 162.2 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 1.8500000000000001 109.301 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' CYS . 12.6 t -115.82 111.71 20.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 1.25 108.289 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -109.11 131.5 55.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 3.4900000000000002 109.319 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.624 ' CE2' HG23 ' A' ' 23' ' ' THR . 2.2 p90 -163.76 157.6 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 1.6799999999999999 111.002 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -85.58 109.67 18.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 4.5999999999999996 109.309 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.47 ' HB1' ' CB ' ' A' ' 23' ' ' THR . . . -53.1 160.01 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 2.1699999999999999 109.297 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 17.5 tt0 -59.88 -18.19 42.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 5.7800000000000002 110.249 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.0 9.93 4.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 3.77 110.02 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.68 -0.2 61.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.459 1.099 . . . . 3.1299999999999999 111.017 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' THR . 9.6 tttp -64.57 -66.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 7.4299999999999997 109.304 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.624 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.6 -174.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 6.3399999999999999 110.384 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.574 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 179.29 -152.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 3.1800000000000002 109.346 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 13' ' ' ILE . 1.5 mt -52.27 133.86 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 2.96 109.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' LYS . 4.9 t -138.38 108.81 6.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.74 108.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 20.7 ttmt -37.84 155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 5.0199999999999996 109.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -89.8 87.12 6.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 1.28 108.278 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.558 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 9.0 t80 -79.72 6.3 11.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 4.75 110.987 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.33 -139.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 4.9199999999999999 109.288 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -63.44 115.81 4.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 5.46 109.329 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' LYS . 18.9 ttpt -39.84 154.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 3.3199999999999998 109.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -69.81 147.19 96.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 1.45 108.334 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.05 -46.59 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.453 1.765 . . . . 0.73999999999999999 111.011 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.9 ptt85 -172.89 143.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 4.3799999999999999 110.318 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.55 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.1 t0 -37.03 134.33 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 2.77 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.85 -23.49 34.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.48999999999999999 111.021 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -41.62 120.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 1.5600000000000001 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.9 146.88 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 3.1299999999999999 109.267 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 14.8 t -152.16 162.01 41.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 2.1899999999999999 108.326 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -125.76 146.75 49.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 3.1099999999999999 110.318 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.595 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 46.9 t80 -108.23 107.58 18.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 1.26 111.027 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.91 124.94 26.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 3.6299999999999999 109.303 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.7 p -91.5 28.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.72 109.973 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.492 ' HH ' ' N ' ' A' ' 1' ' ' ALA . 0.9 OUTLIER -113.01 -24.85 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 6.5300000000000002 111.01 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -126.92 -54.38 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 4.1600000000000001 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.79 26.75 3.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 1.2 111.047 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -94.51 -165.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 7.0700000000000003 109.276 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -139.11 96.3 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 2.79 108.286 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -75.6 78.88 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 2.48 111.017 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 95.3 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 2.1099999999999999 108.316 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.443 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.281 -0.637 . . . . 1.6100000000000001 109.281 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.41 138.09 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.8700000000000001 110.393 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 18' ' ' ALA . 3.5 m-30 -98.01 -166.68 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 3.5899999999999999 110.984 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 4.0 m-80 -155.01 147.13 23.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 3.0699999999999998 109.304 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 6' ' ' LYS . . . -168.85 -127.93 0.96 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.64000000000000001 110.991 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' CG ' ' C ' ' A' ' 5' ' ' GLY . 51.7 mttt -150.26 165.83 31.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 2.5499999999999998 109.302 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.9 p -141.77 151.22 42.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.98999999999999999 108.317 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.674 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.2 m-30 -114.5 140.74 48.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 3.2599999999999998 110.979 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 12' ' ' ASN . 13.5 mttt -58.63 -73.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 5.3300000000000001 109.305 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.3 tttt -38.74 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 4.5099999999999998 109.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.452 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 15.6 m-20 -52.5 -21.47 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 2.4399999999999999 109.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.674 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 52.5 t30 38.86 56.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 2.4900000000000002 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.513 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.8 pp -130.63 172.77 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 1.8700000000000001 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 37.8 t -121.04 102.17 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 1.2 108.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -96.07 129.42 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 4.5499999999999998 109.315 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.611 ' CE2' HG23 ' A' ' 23' ' ' THR . 2.0 p90 -162.36 163.77 27.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.4199999999999999 110.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 18' ' ' ALA . 1.2 tmtt? -95.65 100.48 12.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 4.2199999999999998 109.305 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . . . -45.9 169.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 2.4700000000000002 109.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -66.57 -28.45 68.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 5.7400000000000002 110.303 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -116.59 0.5 12.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 3.79 109.969 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.45 3.68 72.23 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 3.1800000000000002 111.006 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -36.09 81.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 6.8099999999999996 109.286 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.611 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -83.01 -176.59 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 6.25 110.422 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.554 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 161.43 116.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 3.4300000000000002 109.327 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.484 HG22 ' CD1' ' A' ' 13' ' ' ILE . 2.1 mt 60.64 142.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 2.8599999999999999 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' LYS . 43.4 t -160.44 108.44 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 1.3700000000000001 108.302 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.49 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -37.56 139.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 4.6399999999999997 109.293 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -72.34 75.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 1.3600000000000001 108.317 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.592 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 1.2 t80 -83.99 4.43 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 4.3899999999999997 110.983 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 48' ' ' LYS . 3.5 t -103.97 -64.54 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 6.0199999999999996 109.285 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 6.7 mttm -149.67 129.5 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 4.4199999999999999 109.324 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' LYS . 29.0 ttmt -39.79 157.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 4.3899999999999997 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -83.6 143.62 44.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 1.53 108.262 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.477 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 18.1 Cg_endo -75.01 -42.38 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.73999999999999999 110.992 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -178.29 147.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 4.79 110.282 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.61 133.29 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 3.5 109.293 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.81 -27.94 17.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.502 1.126 . . . . 0.68000000000000005 110.98 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.476 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -38.96 117.12 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 0.738 . . . . 1.5900000000000001 109.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 146.61 53.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 4.79 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 38.9 t -152.58 161.54 42.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 2.2599999999999998 108.314 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 7.6 pt-20 -125.14 149.65 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 3.8799999999999999 110.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.595 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 69.2 t80 -107.06 104.91 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 1.0700000000000001 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.607 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -67.77 135.53 52.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 2.6000000000000001 109.307 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 p -95.58 -16.96 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.8200000000000001 109.989 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -68.53 -9.21 47.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 8.0600000000000005 111.004 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 20.4 mtpt -148.8 -58.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 4.5599999999999996 109.288 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.2 49.16 0.41 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 1.1000000000000001 111.035 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -118.62 175.27 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 4.2800000000000002 109.263 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 14' ' ' CYS . 1.6 p -123.81 96.09 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 2.6000000000000001 108.271 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.405 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 21.2 m-85 -66.82 67.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 2.4900000000000002 110.968 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 3.6 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 1.6699999999999999 108.262 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.572 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.293 -0.632 . . . . 1.98 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.13 142.87 37.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 1.7 110.43 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 2.8 m-30 -103.3 -169.46 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 3.04 110.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 13.1 m120 -150.92 147.0 26.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.99 109.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -170.63 -135.76 1.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.52000000000000002 111.014 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -147.18 156.73 43.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 0.777 . . . . 2.5 109.291 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -126.21 159.21 33.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 1.0 108.256 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.5 m-30 -114.03 150.8 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 2.9300000000000002 111.025 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 34' ' ' PRO . 3.7 mttt -81.39 -62.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 4.8399999999999999 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -46.97 -56.77 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 4.5700000000000003 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' ASN . 29.5 m-20 -75.51 -13.3 60.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 2.6400000000000001 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.616 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 47.0 t30 38.51 54.21 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 2.52 109.29 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.503 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.3 pp -133.69 177.7 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 1.8 109.337 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 26' ' ' CYS . 1.0 OUTLIER -128.53 118.74 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.3899999999999999 108.275 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HG2' ' CG1' ' A' ' 25' ' ' ILE . 23.7 mtpt -111.64 133.99 53.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 4.0499999999999998 109.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.626 ' CE2' ' CG2' ' A' ' 23' ' ' THR . 1.8 p90 -162.67 156.88 21.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 1.48 111.001 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -86.43 107.17 17.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 4.7800000000000002 109.265 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' HB1' ' CB ' ' A' ' 23' ' ' THR . . . -49.62 160.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 2.0800000000000001 109.32 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 0.8 OUTLIER -60.29 -16.54 35.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 5.96 110.327 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.1 10.59 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 2.9399999999999999 110.01 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.43 0.3 62.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.108 . . . . 3.1499999999999999 111.015 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -65.22 -65.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 0.805 . . . . 7.6900000000000004 109.325 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.626 ' CG2' ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.71 -172.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 5.6900000000000004 110.375 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.593 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . -179.28 -147.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 3.2200000000000002 109.263 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.522 ' CG1' ' HG2' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -52.85 130.7 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 2.9700000000000002 109.334 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' CYS . 8.6 t -130.18 100.79 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.3799999999999999 108.325 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 2.4 ptpt -40.86 149.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 4.6100000000000003 109.258 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -65.0 -154.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 2.3399999999999999 108.28 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.544 ' CD1' HG22 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -178.16 98.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 5.6699999999999999 111.002 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.544 HG22 ' CD1' ' A' ' 29' ' ' TYR . 1.7 t 70.56 -71.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 5.2199999999999998 109.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.77 72.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 5.1100000000000003 109.276 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' VAL . 11.0 ttpt -41.73 151.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 3.52 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 8' ' ' TYR . 13.2 m -63.66 147.54 95.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 3.2400000000000002 108.301 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.502 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.90000000000000002 111.006 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 173.97 147.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 4.9199999999999999 110.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.572 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 5.2 t70 -40.38 142.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 2.8700000000000001 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.28 -28.6 7.93 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.82999999999999996 111.019 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.502 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -40.93 115.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 1.5600000000000001 109.261 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -65.64 145.01 56.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 2.9100000000000001 109.336 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -155.12 160.05 40.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 2.1699999999999999 108.278 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 4.9 pt-20 -126.21 146.27 50.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 4.5899999999999999 110.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.601 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 70.7 t80 -102.91 110.15 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.21 111.021 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.624 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -74.75 136.09 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 2.8700000000000001 109.32 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 p -94.09 -18.77 21.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 2.0299999999999998 110.02 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.624 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -76.1 -8.36 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 6.7999999999999998 110.992 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 62.8 mttt -152.71 -63.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 3.5699999999999998 109.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.01 67.79 1.13 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 1.5600000000000001 111.015 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 13.1 mmtp -117.21 10.94 13.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 4.6900000000000004 109.298 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 43.06 77.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 3.0699999999999998 108.292 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -59.12 87.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 2.0600000000000001 111.035 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.95 108.299 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.326 -0.62 . . . . 1.9399999999999999 109.326 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.462 HG23 ' CB ' ' A' ' 41' ' ' GLU . 4.1 m -68.51 138.72 55.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 1.48 110.375 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 19' ' ' GLN . 4.8 m-30 -92.29 179.52 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 3.6699999999999999 110.999 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.402 ' OD1' ' OE2' ' A' ' 41' ' ' GLU . 3.8 m-80 -140.46 137.49 33.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 2.3199999999999998 109.309 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.01 -139.06 2.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.39000000000000001 111.015 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -147.83 156.78 43.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 3.2799999999999998 109.303 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.41 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -127.54 155.79 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 1.1000000000000001 108.302 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.581 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 18.1 m-85 -105.93 169.22 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 3.5899999999999999 111.018 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -92.57 -69.78 0.73 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 3.8999999999999999 109.257 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -42.17 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 4.3700000000000001 109.319 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' ASN . 3.7 m-20 -59.12 -16.53 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 3.21 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.567 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 63.9 t30 37.38 63.47 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 2.8199999999999998 109.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.518 ' C ' ' CD1' ' A' ' 13' ' ' ILE . 1.7 pp -131.5 168.28 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 1.8999999999999999 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' CYS . 1.2 m -114.5 110.12 19.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 2.1200000000000001 108.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' HD2' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -107.76 129.28 55.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 3.8700000000000001 109.318 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.613 ' CE2' ' CG2' ' A' ' 23' ' ' THR . 1.8 p90 -161.09 158.31 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 1.3899999999999999 111.012 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -87.34 105.32 17.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 4.0300000000000002 109.259 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' HB1' ' CG2' ' A' ' 23' ' ' THR . . . -48.22 161.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 2.1000000000000001 109.314 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.566 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 65.6 tt0 -59.79 -26.91 66.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 5.2699999999999996 110.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.72 9.15 10.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 3.23 110.014 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.93 6.06 77.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.437 1.086 . . . . 3.0499999999999998 110.977 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' THR . 12.4 tttp -70.58 -64.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 7.2599999999999998 109.287 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.613 ' CG2' ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -52.29 -172.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 6.3300000000000001 110.382 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.592 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 179.13 -153.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 3.2599999999999998 109.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.473 HG22 ' CD1' ' A' ' 13' ' ' ILE . 1.6 mt -49.42 139.63 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 3.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 14' ' ' CYS . 4.0 t -146.16 111.79 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 1.95 108.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 18.0 ttpt -36.66 154.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 5.4900000000000002 109.294 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.63 85.13 6.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.3799999999999999 108.292 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.578 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 3.1 t80 -79.09 5.11 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 4.3200000000000003 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -115.28 -139.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 5.3499999999999996 109.331 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.12 118.07 10.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 4.5800000000000001 109.278 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.53 153.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 4.0499999999999998 109.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 1.9 t -74.27 140.09 76.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 1.48 108.352 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -29.52 8.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 0.93999999999999995 111.011 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER 172.49 140.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 5.8600000000000003 110.277 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.581 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -36.07 137.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 3.46 109.315 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.4 -28.25 16.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.77000000000000002 110.963 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.526 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.83 118.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 1.46 109.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -63.99 150.58 44.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 3.5499999999999998 109.264 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 1.9 p -153.86 152.97 31.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 2.27 108.248 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' CB ' HG23 ' A' ' 2' ' ' THR . 1.3 mm-40 -122.84 129.76 52.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 3.7799999999999998 110.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.609 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 71.3 t80 -92.76 101.52 13.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.1200000000000001 111.016 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.587 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -64.47 129.65 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 2.9100000000000001 109.305 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 p -96.81 21.39 9.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 1.72 110.009 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.625 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -104.53 -25.89 12.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 5.8600000000000003 111.021 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -126.39 -53.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 4.8499999999999996 109.315 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.82 32.64 1.85 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 1.1899999999999999 111.007 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.99 170.79 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 5.4000000000000004 109.277 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.09 96.86 5.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 2.9399999999999999 108.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -69.77 61.88 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 2.3199999999999998 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.7 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.8600000000000001 108.3 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.459 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.322 -0.621 . . . . 1.77 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 m -63.0 134.12 55.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 1.4399999999999999 110.383 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.474 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 6.3 m-30 -89.22 -164.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 3.71 110.95 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 8.7 m-80 -155.77 148.25 23.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 2.73 109.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 6' ' ' LYS . . . -172.05 -132.08 1.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.40999999999999998 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' CG ' ' C ' ' A' ' 5' ' ' GLY . 26.2 mttt -148.89 160.53 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 2.9500000000000002 109.322 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.453 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -134.04 158.31 43.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.1299999999999999 108.303 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 17.6 m-30 -114.15 169.24 9.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 2.8900000000000001 111.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 1.1 ptpt -99.48 -56.64 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 3.3199999999999998 109.283 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.37 -56.46 8.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 4.4299999999999997 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -81.07 -14.91 57.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 2.4300000000000002 109.329 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.54 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 12.6 t30 40.29 61.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 2.9900000000000002 109.315 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.517 ' C ' ' CD1' ' A' ' 13' ' ' ILE . 1.7 pp -135.91 179.83 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.8799999999999999 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.7 OUTLIER -127.88 112.85 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 1.49 108.291 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -108.82 131.9 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 3.5899999999999999 109.26 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.617 ' CE2' HG23 ' A' ' 23' ' ' THR . 1.9 p90 -161.17 158.44 27.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.72 111.066 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -86.68 106.08 17.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 4.7599999999999998 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB1' ' CG2' ' A' ' 23' ' ' THR . . . -48.47 159.74 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 2.0899999999999999 109.265 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -60.4 -15.72 28.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 5.7199999999999998 110.267 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.91 9.08 3.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 2.8199999999999998 110.029 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.56 0.0 66.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.444 1.09 . . . . 2.8900000000000001 110.982 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 23' ' ' THR . 1.4 tmtt? -65.57 -65.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.58 0.812 . . . . 7.1500000000000004 109.283 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.617 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.84 -173.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 6.0300000000000002 110.408 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.588 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . -179.57 -152.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 3.1899999999999999 109.299 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.479 HG22 ' CD1' ' A' ' 13' ' ' ILE . 1.6 mt -50.02 141.57 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 2.9500000000000002 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.2 t -148.67 112.6 5.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 2.1299999999999999 108.273 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 13.7 mttt -35.61 150.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 4.7199999999999998 109.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -75.15 -150.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 2.2200000000000002 108.295 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.511 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -150.12 -147.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 4.3700000000000001 111.001 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -41.61 78.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 5.4100000000000001 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.939 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 7.9 mttt -84.48 71.0 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 5.1799999999999997 109.286 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 31' ' ' LYS . 12.4 mtmt -43.99 167.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 3.8300000000000001 109.316 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 2.0 t -79.53 139.09 54.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.45 108.297 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.506 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.05 -36.15 2.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.92000000000000004 110.975 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HA ' ' CE ' ' A' ' 9' ' ' LYS . 1.1 ptm180 -175.98 141.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 6.1900000000000004 110.346 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.568 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.79 135.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 3.0600000000000001 109.283 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 102.58 -28.67 14.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.555 1.159 . . . . 0.65000000000000002 110.978 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.506 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -38.62 120.14 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 1.4399999999999999 109.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -66.42 150.7 48.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 4.04 109.262 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.43 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 5.8 p -156.97 170.43 22.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 2.1699999999999999 108.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -134.15 156.28 48.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 4.1900000000000004 110.27 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.595 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 58.6 t80 -111.78 96.43 6.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.3500000000000001 110.991 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.523 ' OD2' ' CE2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -58.43 127.31 31.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 2.4700000000000002 109.298 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.7 p -92.79 6.57 47.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.8999999999999999 109.98 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.595 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -86.95 -33.33 19.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 5.5599999999999996 110.963 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -127.35 -48.06 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 4.2300000000000004 109.261 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.77 26.47 3.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 1.3 110.976 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.511 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -77.04 -171.2 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 6.3700000000000001 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -142.32 84.96 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 3.3599999999999999 108.308 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -51.25 170.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 2.9300000000000002 111.012 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.939 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 2.7599999999999998 108.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.506 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.305 -0.628 . . . . 2.1400000000000001 109.305 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -79.06 128.22 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 1.54 110.361 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 2.8 m-30 -88.73 -172.34 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 3.71 110.988 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 0.8 OUTLIER -145.6 137.02 25.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 2.4900000000000002 109.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.42 -139.82 2.72 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.44 110.972 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -144.03 161.13 39.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 3.5699999999999998 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 38' ' ' ALA . 1.3 p -130.93 153.31 49.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 108.283 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.554 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.8 m-30 -113.46 136.67 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 2.9300000000000002 110.995 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -77.52 -47.89 18.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 2.8900000000000001 109.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -53.62 -43.59 68.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 4.4299999999999997 109.299 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.427 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -96.01 -7.54 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 2.8599999999999999 109.319 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 59.7 t30 38.33 59.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 2.4900000000000002 109.286 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.493 ' C ' ' CD1' ' A' ' 13' ' ' ILE . 1.7 pp -134.91 177.57 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 2.02 109.302 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.075 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -127.0 107.51 10.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 2.04 108.288 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -105.43 130.54 53.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 3.79 109.334 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.616 ' CE2' HG23 ' A' ' 23' ' ' THR . 2.2 p90 -162.96 159.65 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.95 111.023 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -86.58 110.14 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 4.7599999999999998 109.341 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.465 ' HB1' ' CG2' ' A' ' 23' ' ' THR . . . -54.62 160.88 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 2.0699999999999998 109.325 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -58.62 -23.8 59.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 4.9699999999999998 110.31 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.48 11.97 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 2.9700000000000002 110.022 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.23 3.73 62.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 2.9700000000000002 111.001 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' THR . 20.1 tttt -67.95 -65.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 0.791 . . . . 7.8300000000000001 109.309 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.616 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.56 -173.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 5.6900000000000004 110.407 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.586 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 178.71 -154.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 3.27 109.314 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 13' ' ' ILE . 1.4 mt -48.01 134.57 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 3.3300000000000001 109.298 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' LYS . 22.9 t -140.26 109.03 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.77 108.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 1.4 ptpt -36.55 147.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 4.7000000000000002 109.314 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.53 -155.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 2.2400000000000002 108.312 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -178.16 100.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 4.8099999999999996 111.015 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.438 ' CG2' ' CD1' ' A' ' 29' ' ' TYR . 1.3 t 67.37 -71.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 4.8399999999999999 109.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' TYR . 1.1 tttp -70.85 69.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 4.5199999999999996 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 33' ' ' CYS . 19.0 ttpt -40.47 153.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 3.4500000000000002 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -65.65 144.29 98.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 1.3 108.276 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.49 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -45.16 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.77000000000000002 111.016 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -176.35 143.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 4.4500000000000002 110.276 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.554 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.3 t70 -39.25 136.69 0.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 2.9300000000000002 109.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.94 -24.0 30.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.56000000000000005 111.001 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.49 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -44.63 118.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 1.8100000000000001 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.493 ' CE ' ' OE2' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -62.36 147.95 46.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 3.3399999999999999 109.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.414 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 1.8 p -154.65 146.61 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 2.3399999999999999 108.356 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.493 ' OE2' ' CE ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -116.5 129.92 56.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 3.8900000000000001 110.25 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.601 ' CG ' ' CE2' ' A' ' 16' ' ' TYR . 65.0 t80 -89.37 104.31 16.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 1.1000000000000001 110.972 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.598 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 1.7 t0 -70.27 130.07 41.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 3.2599999999999998 109.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 p -95.53 -3.6 46.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.8 109.957 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.598 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -73.76 -11.41 60.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 7.9100000000000001 111.039 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.534 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 16.1 mttt -143.66 -57.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 4.0499999999999998 109.355 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.97 36.72 0.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 1.4199999999999999 110.986 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' CE ' ' HB3' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -111.34 179.91 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 5.96 109.28 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.97 94.4 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 2.6699999999999999 108.298 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.76 74.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 2.04 111.025 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 1.075 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.8799999999999999 108.265 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.455 ' N ' ' OH ' ' A' ' 45' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.276 -0.639 . . . . 1.77 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m -52.75 141.38 21.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 1.5700000000000001 110.364 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.449 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 16.3 m-30 -96.01 -166.36 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 2.8300000000000001 111.014 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 7.0 m120 -149.67 135.04 18.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 2.1299999999999999 109.347 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -163.66 -139.71 2.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.39000000000000001 110.999 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -141.09 164.79 29.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 3.4399999999999999 109.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 1.6 p -138.39 156.32 47.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.97999999999999998 108.253 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.51 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 39.2 m-85 -116.09 137.22 52.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 3.0099999999999998 111.013 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -77.64 -48.87 15.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 2.7799999999999998 109.282 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 15.4 tttt -54.04 -44.46 71.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 4.4400000000000004 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.79 -14.21 32.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 2.8199999999999998 109.308 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 2.4 t-20 46.66 53.33 10.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 2.23 109.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.463 ' CD1' HG22 ' A' ' 25' ' ' ILE . 2.0 pp -136.6 174.66 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 1.77 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' HD11 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -129.87 122.41 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.3500000000000001 108.316 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.472 ' HD3' ' CE2' ' A' ' 8' ' ' TYR . 1.6 pttp -115.47 137.3 52.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 5.6200000000000001 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.608 ' CE2' HG23 ' A' ' 23' ' ' THR . 1.6 p90 -159.91 160.97 34.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.51 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -89.02 103.3 15.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 4.9100000000000001 109.331 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.467 ' HB1' ' CG2' ' A' ' 23' ' ' THR . . . -46.76 159.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 2.0299999999999998 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -27.74 51.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 5.4100000000000001 110.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.84 16.71 9.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 3.1800000000000002 110.038 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 67.81 7.53 49.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.549 1.156 . . . . 2.7599999999999998 110.954 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 23' ' ' THR . 10.4 tttt -70.29 -66.3 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 7.04 109.308 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.608 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -51.82 -171.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 6.21 110.375 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.591 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . -179.7 -154.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 3.2999999999999998 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.463 HG22 ' CD1' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -50.05 134.92 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 3.3500000000000001 109.253 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 27' ' ' LYS . 20.9 t -140.95 110.33 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 1.79 108.31 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 26' ' ' CYS . 15.0 mtpt -33.29 146.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 5.2400000000000002 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.633 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -82.92 -167.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 2.0699999999999998 108.289 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.33 -149.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 4.79 110.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 t -50.66 -29.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 4.7400000000000002 109.306 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.559 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 12.4 mmtt -86.48 57.01 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 5.0800000000000001 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.6 ttmt -39.44 154.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 4.0700000000000003 109.304 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 5.4 t -69.89 140.41 88.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 1.21 108.288 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.488 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.789 . . . . 0.81000000000000005 111.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.5 ptt85 -170.05 139.85 1.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 4.5499999999999998 110.299 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.51 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -35.75 134.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 2.9399999999999999 109.322 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.69 -22.26 36.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.5 111.059 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.488 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -43.32 120.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 1.3799999999999999 109.32 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -66.36 146.39 54.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 3.5099999999999998 109.306 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 1.6 p -155.72 158.01 37.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 2.1200000000000001 108.312 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -119.13 139.61 51.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 3.96 110.304 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.502 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 79.4 t80 -97.74 103.58 15.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 1.1599999999999999 111.004 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.571 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 4.0 t70 -64.5 121.62 14.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 3.23 109.329 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.7 p -90.7 19.57 5.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 1.7 109.972 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.628 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -111.31 -23.74 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 6.0800000000000001 111.008 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -132.99 -48.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 4.5700000000000003 109.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.66 7.84 13.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.147 . . . . 1.48 111.011 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 137.47 37.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 3.8900000000000001 109.295 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.587 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 77.2 m -90.08 95.27 10.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 2.9300000000000002 108.275 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -60.45 100.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 1.9199999999999999 111.012 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.633 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 2.3500000000000001 108.286 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.303 -0.628 . . . . 1.8600000000000001 109.303 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.76 134.58 35.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 1.6299999999999999 110.382 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.554 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 8.7 m-85 -90.85 -174.41 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 2.79 110.993 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -153.4 142.7 21.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 2.9100000000000001 109.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -170.36 -128.44 1.02 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.552 1.157 . . . . 0.65000000000000002 110.958 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' C ' ' NZ ' ' A' ' 15' ' ' LYS . 12.0 mttm -142.03 166.68 24.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 2.8100000000000001 109.251 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.967 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.7 p -143.34 151.88 40.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.02 108.311 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 17.4 m-30 -114.55 136.6 52.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 3.1800000000000002 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -76.72 -48.65 18.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 3.1200000000000001 109.301 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 15.3 tttm -54.25 -45.56 72.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 3.6299999999999999 109.328 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 18.9 m-20 -90.38 -10.5 43.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 3.1699999999999999 109.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 2.6 t-20 39.84 63.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 2.27 109.297 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.623 ' CD1' ' CE ' ' A' ' 15' ' ' LYS . 2.2 pp -140.99 176.76 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 2.1400000000000001 109.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -129.93 110.52 11.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 1.77 108.329 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.623 ' CE ' ' CD1' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -99.02 135.49 40.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 6.8399999999999999 109.307 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.632 ' CE2' HG23 ' A' ' 23' ' ' THR . 2.2 p90 -164.9 157.19 15.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 1.6599999999999999 110.957 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 101.36 13.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 4.1799999999999997 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.49 ' HB1' ' CG2' ' A' ' 23' ' ' THR . . . -45.48 169.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.95 109.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -28.69 69.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 5.0899999999999999 110.304 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.97 -0.19 12.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 2.73 109.995 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.28 2.71 80.13 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.485 1.116 . . . . 2.8199999999999998 111.035 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -65.24 -41.58 94.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 7.1500000000000004 109.344 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.632 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -76.57 -175.43 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 5.3799999999999999 110.393 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.565 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 160.59 116.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 3.8100000000000001 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.446 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 1.5 mt 60.75 136.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 3.02 109.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' LYS . 52.2 t -157.68 109.51 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.8100000000000001 108.316 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -37.42 141.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 6.2800000000000002 109.334 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -73.81 -162.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 2.3100000000000001 108.295 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -178.35 122.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 5.6399999999999997 110.991 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t 69.19 -70.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 4.0 109.337 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -80.03 58.47 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 4.9299999999999997 109.321 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LYS . 16.1 ttmt -39.11 156.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 4.9800000000000004 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 7' ' ' CYS . 1.8 m -68.16 140.52 93.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 3.3500000000000001 108.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.496 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -57.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.501 1.79 . . . . 1.1100000000000001 111.006 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 3.2 ptt180 -158.05 146.06 18.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 4.1500000000000004 110.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.561 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.05 135.4 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 2.6499999999999999 109.289 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 94.49 -27.48 13.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.431 1.082 . . . . 0.60999999999999999 110.996 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.496 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -39.54 123.95 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 1.6399999999999999 109.277 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.24 147.2 44.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 3.2999999999999998 109.331 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 1.357 ' SG ' ' HA ' ' A' ' 51' ' ' CYS . 6.9 t -154.73 170.69 21.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 2.5800000000000001 108.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 11.1 pt-20 -133.87 148.55 51.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 3.8799999999999999 110.297 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.554 ' CD2' ' CE2' ' A' ' 3' ' ' TYR . 55.6 t80 -106.18 106.92 17.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.1699999999999999 110.962 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.433 ' HB3' ' CD2' ' A' ' 45' ' ' TYR . 1.9 m-20 -72.89 129.56 38.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 3.0499999999999998 109.302 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.1 p -92.91 11.9 25.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 2.2799999999999998 109.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 3.6 m-85 -90.05 -33.06 16.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 6.1600000000000001 111.01 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -124.94 -50.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 4.1699999999999999 109.295 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.42 23.16 4.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.159 . . . . 1.03 110.976 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -97.75 177.19 5.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 6.6900000000000004 109.282 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.76 97.22 6.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 2.3999999999999999 108.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.438 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 14.7 m-85 -71.91 56.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 2.1400000000000001 111.053 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 1.357 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 2.7999999999999998 108.274 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.518 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 1.8200000000000001 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -79.25 143.36 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 1.52 110.363 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.62 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 2.3 m-30 -100.44 -179.31 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 3.2400000000000002 111.056 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -147.87 150.05 33.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 2.8300000000000001 109.307 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.82 -148.37 8.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.46999999999999997 110.98 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -134.96 156.47 48.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 2.5699999999999998 109.262 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -119.4 150.54 40.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 1.01 108.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 16.0 m-30 -113.08 131.79 55.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 2.9100000000000001 111.007 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -60.06 -63.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 4.75 109.314 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -72.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 4.5999999999999996 109.317 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' ASN . 1.7 t0 -62.71 -13.9 37.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 3.3300000000000001 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.566 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 49.3 t30 37.95 60.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 2.5699999999999998 109.328 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.7 pp -134.92 -175.98 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 2.3300000000000001 109.348 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -128.98 105.72 8.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 2.21 108.333 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -88.48 139.34 30.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 4.1200000000000001 109.276 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.541 ' CE2' ' HB1' ' A' ' 24' ' ' ALA . 53.5 p90 -166.29 163.49 17.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 1.5900000000000001 110.961 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 7.5 mttt -88.22 130.83 34.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 5.8300000000000001 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' GLY . . . -81.83 155.82 25.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 1.9199999999999999 109.296 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -40.26 -39.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 7.0499999999999998 110.353 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -48.79 68.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 4.1500000000000004 110.024 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . 128.26 -10.53 6.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 3.77 111.016 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 4.7 tttp -75.86 -115.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 9.1099999999999994 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 m -161.07 138.78 9.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 7.6399999999999997 110.391 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.541 ' HB1' ' CE2' ' A' ' 16' ' ' TYR . . . -130.92 128.03 39.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 3.96 109.29 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.465 ' CG2' HD11 ' A' ' 13' ' ' ILE . 11.6 mt -97.71 141.15 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 2.5699999999999998 109.249 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.2 t -139.3 103.71 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 1.46 108.296 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.7 OUTLIER -40.77 149.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 1.136 . . . . 7.1900000000000004 109.336 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.779 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -63.59 -150.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.98 108.287 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.47 ' CE2' ' HD2' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -156.7 -147.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 4.8700000000000001 111.024 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.1 t -54.66 -27.48 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 5.5199999999999996 109.289 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 73.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 4.9100000000000001 109.307 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -40.8 153.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 3.5299999999999998 109.298 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 1.7 t -53.48 141.31 44.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 1.27 108.332 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.514 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.96 -39.69 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 0.98999999999999999 111.036 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.5 139.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 5.04 110.276 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.575 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 14.2 t70 -39.59 137.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 3.1499999999999999 109.353 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.15 -23.1 34.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 0.65000000000000002 110.978 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.514 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -49.4 117.44 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 1.8799999999999999 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 148.83 30.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 3.0800000000000001 109.297 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 p -156.87 162.12 39.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 2.3799999999999999 108.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 2.1 pm0 -143.0 145.37 32.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 3.4500000000000002 110.246 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' A' ' 3' ' ' TYR . 62.6 t80 -101.39 106.1 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 1.71 111.053 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.9 127.99 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 3.23 109.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.8 p -86.32 5.84 32.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 2.1699999999999999 109.976 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.612 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -82.25 -35.99 27.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 6.2199999999999998 110.974 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -117.0 -48.69 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 5.8300000000000001 109.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.432 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . . . 116.06 14.26 7.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 1.7 110.98 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -102.09 149.16 24.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 6.5700000000000003 109.317 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -96.57 85.94 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 4.2699999999999996 108.277 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -44.61 103.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 2.0699999999999998 110.979 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.779 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.8100000000000001 108.304 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.585 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.341 -0.614 . . . . 2.1800000000000002 109.341 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -70.08 143.9 52.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 1.5900000000000001 110.369 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 3.7 m-30 -102.43 -166.79 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 2.9399999999999999 110.992 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 1.9 m120 -139.61 158.34 44.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 2.48 109.259 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.402 ' C ' ' CD ' ' A' ' 6' ' ' LYS . . . 172.57 -158.74 29.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 0.57999999999999996 111.002 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.423 ' N ' ' CD ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -131.31 166.48 21.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 3.8900000000000001 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.52 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 1.7 p -136.48 171.76 14.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.98999999999999999 108.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.585 ' CD1' ' HE3' ' A' ' 15' ' ' LYS . 4.4 m-85 -140.11 148.01 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 2.4500000000000002 111.017 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' ASP . 2.0 ptmt -84.78 -58.94 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 3.04 109.32 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.83 -27.94 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 6.4699999999999998 109.27 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' LYS . 36.1 t0 -108.28 -24.13 11.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 3.0600000000000001 109.324 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' TYR . 5.6 t-20 53.11 51.75 15.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 2.3300000000000001 109.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.49 HD12 ' CE ' ' A' ' 15' ' ' LYS . 2.3 pp -138.24 176.75 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.79 109.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' CYS . 2.1 t -132.73 124.46 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.3700000000000001 108.298 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 8' ' ' TYR . 11.2 mttt -112.18 142.2 44.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 5.0999999999999996 109.271 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.619 ' CE2' HG23 ' A' ' 23' ' ' THR . 2.8 p90 -168.82 154.47 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 1.48 111.0 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -85.56 110.97 19.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 4.04 109.299 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.483 ' HB1' ' CB ' ' A' ' 23' ' ' THR . . . -52.61 160.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 2.0600000000000001 109.259 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -57.6 -36.57 71.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 4.2699999999999996 110.302 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.79 7.02 21.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 3.2200000000000002 110.008 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.0 12.7 83.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 2.9199999999999999 111.013 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 23' ' ' THR . 7.7 tttt -77.87 -63.01 1.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 0.719 . . . . 7.3700000000000001 109.293 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.619 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.56 -172.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 6.1900000000000004 110.393 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.603 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . -177.03 -141.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 3.3300000000000001 109.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.543 ' N ' ' CD1' ' A' ' 25' ' ' ILE . 1.4 mm -55.75 146.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 3.5699999999999998 109.288 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' CYS . 8.8 t -149.47 108.65 3.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.6799999999999999 108.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 21.4 ttmt -37.02 154.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 5.0300000000000002 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.656 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 10.1 m -99.69 110.72 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 1.3700000000000001 108.336 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.548 ' CD1' HG11 ' A' ' 30' ' ' VAL . 3.6 t80 -94.13 124.38 38.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 5.7699999999999996 111.007 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.548 HG11 ' CD1' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 73.74 146.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 4.2199999999999998 109.307 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER 39.77 81.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 5.1299999999999999 109.327 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.99 164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 5.5499999999999998 109.268 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -57.23 145.31 67.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 1.4399999999999999 108.264 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.459 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.98 -42.58 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 1.0800000000000001 110.972 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.8 ptt180 -173.77 139.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 4.4800000000000004 110.338 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.454 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -38.15 133.03 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.8900000000000001 109.327 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.47 -19.82 50.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.449 1.093 . . . . 0.64000000000000001 110.987 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -41.13 120.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 1.47 109.314 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -65.3 148.87 50.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 3.3399999999999999 109.251 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -158.44 168.41 27.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 2.2200000000000002 108.337 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 9.3 pt-20 -134.33 148.89 50.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 4.04 110.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.583 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 75.7 t80 -102.51 107.64 18.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 1.4099999999999999 111.002 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.05 128.9 35.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 2.9100000000000001 109.297 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 p -91.45 28.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 2.0899999999999999 110.072 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -114.18 -23.6 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 5.8099999999999996 111.017 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -130.41 -53.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 3.71 109.301 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.13 18.61 6.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 1.24 110.933 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -85.35 -168.13 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 0.752 . . . . 4.0700000000000003 109.283 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.555 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.8 m -142.18 85.11 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 2.7999999999999998 108.291 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -53.49 109.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 2.1699999999999999 110.957 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.656 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.8100000000000001 108.274 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.283 -0.636 . . . . 2.3300000000000001 109.283 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.02 147.47 24.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 1.8400000000000001 110.425 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 19.6 m-30 -102.9 -174.77 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 3.1000000000000001 110.993 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 5.9 m120 -145.35 149.28 34.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.8899999999999999 109.283 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.06 -129.68 1.18 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.59999999999999998 110.974 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 18.1 mttm -149.04 159.92 43.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 2.9399999999999999 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 38' ' ' ALA . 1.3 p -128.98 155.19 45.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 1.04 108.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 38.8 m-85 -114.23 134.29 55.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 3.3100000000000001 111.002 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 8.4 ptmt -75.62 -48.51 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 3.4300000000000002 109.306 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 14.6 tttt -51.61 -48.84 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 4.4100000000000001 109.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' ASN . 0.4 OUTLIER -90.92 -8.13 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 3.4199999999999999 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.525 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 59.9 t30 39.95 58.87 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 2.5499999999999998 109.303 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.1 pp -133.1 175.67 10.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 1.98 109.266 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER -127.65 112.37 14.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 2.4300000000000002 108.31 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -99.3 153.61 18.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 3.7200000000000002 109.295 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.669 ' CZ ' ' CD1' ' A' ' 42' ' ' PHE . 38.4 p90 -177.88 160.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.77 111.017 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -78.76 122.78 26.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 4.8700000000000001 109.326 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.46 162.52 23.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 2.1499999999999999 109.298 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -43.1 -36.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 5.8300000000000001 110.289 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -55.92 -50.63 70.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 4.3899999999999997 110.01 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.78 -4.12 7.0 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.48 1.113 . . . . 3.5299999999999998 111.008 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -83.6 -114.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 10.66 109.325 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 m -160.33 134.88 7.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 7.2599999999999998 110.405 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.499 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . -122.61 131.33 53.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 4.4900000000000002 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.464 HG22 ' CD1' ' A' ' 13' ' ' ILE . 1.2 mt -107.9 144.54 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 2.6099999999999999 109.357 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.4 t -141.16 102.26 4.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.9199999999999999 108.32 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 4.2 ptmt -43.26 139.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 6.3200000000000003 109.303 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -67.7 113.62 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 1.9199999999999999 108.283 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -110.33 11.29 23.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 4.96 111.006 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -132.09 -105.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 4.5099999999999998 109.258 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.84 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -87.14 107.48 18.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 5.5 109.278 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 23.5 ttpt -40.11 154.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 4.2400000000000002 109.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -71.38 144.71 89.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 1.3200000000000001 108.305 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.04 -41.86 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.511 1.795 . . . . 0.91000000000000003 110.979 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.463 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 3.8 ptt180 178.39 149.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 4.0999999999999996 110.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.3 t0 -44.44 135.93 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 3.6099999999999999 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' OD1' ' A' ' 36' ' ' ASP . . . 99.26 -30.15 10.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.67000000000000004 111.003 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.476 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -41.61 117.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 1.4099999999999999 109.267 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -60.63 148.59 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 4.7300000000000004 109.318 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 2.5 p -161.2 154.69 21.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 2.29 108.28 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 3.6 pt-20 -117.69 152.68 34.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 4.9100000000000001 110.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.669 ' CD1' ' CZ ' ' A' ' 16' ' ' TYR . 42.3 t80 -115.66 110.01 18.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 1.1799999999999999 111.001 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.61 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 5.3 t70 -58.81 139.06 56.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 3.9500000000000002 109.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.2 p -109.59 21.94 16.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 2.5800000000000001 109.983 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.61 ' CD2' ' OD1' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -111.23 -21.04 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 5.75 110.986 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -135.34 -54.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 4.9199999999999999 109.314 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.48 45.07 0.53 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 1.1100000000000001 110.965 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -109.46 167.59 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.751 . . . . 5.8799999999999999 109.283 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' CB ' ' HB2' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -115.08 101.48 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 2.4900000000000002 108.281 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -80.36 64.99 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.8100000000000001 111.041 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.84 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 2.9300000000000002 108.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.331 -0.618 . . . . 2.0 109.331 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.91 135.99 57.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 1.99 110.347 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.429 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 20.5 m-85 -96.52 -172.13 2.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 3.02 110.992 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 0.6 OUTLIER -145.01 124.48 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 2.1299999999999999 109.298 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.38 -139.81 3.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.68999999999999995 111.025 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -147.09 158.64 44.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 3.02 109.328 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -134.4 156.93 47.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.26 108.284 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.577 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 15.3 m-30 -109.59 171.28 7.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 2.77 111.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -107.68 -47.51 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 3.0299999999999998 109.257 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 7.6 tttt -53.98 -54.31 40.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 3.8100000000000001 109.251 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER -91.66 -5.75 53.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 3.1600000000000001 109.324 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.545 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 10.2 t30 38.72 65.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 3.04 109.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.571 HD13 ' CD2' ' A' ' 8' ' ' TYR . 2.4 pp -132.95 175.06 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 2.3100000000000001 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -131.58 106.43 8.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 1.5700000000000001 108.343 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 9.6 mtpt -97.28 135.07 39.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 3.6699999999999999 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.622 ' CE2' ' CG ' ' A' ' 42' ' ' PHE . 3.3 p90 -169.44 165.99 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.6499999999999999 110.99 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -92.75 137.69 32.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 4.8600000000000003 109.327 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' HB1' ' CB ' ' A' ' 23' ' ' THR . . . -92.28 36.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 2.6400000000000001 109.301 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 3.8 tp-100 67.1 -59.01 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 6.6900000000000004 110.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -89.37 5.21 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 3.0800000000000001 110.003 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.66 3.17 71.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 3.2599999999999998 110.958 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' THR . 35.2 tttt -55.77 -85.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 8.0399999999999991 109.303 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.582 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -49.88 -178.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 5.8700000000000001 110.443 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.541 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 164.66 118.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 3.3999999999999999 109.268 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 1.6 mt 61.76 136.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 2.7000000000000002 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.527 ' O ' ' C ' ' A' ' 27' ' ' LYS . 3.9 t -160.15 113.74 2.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 1.97 108.32 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 26' ' ' CYS . 7.7 mttt -30.96 143.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 4.6699999999999999 109.31 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 14.3 m -71.58 62.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.8200000000000001 108.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.521 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 7.3 t80 -44.49 117.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 5.1900000000000004 110.986 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.521 ' CG1' ' C ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 73.48 146.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 4.8600000000000003 109.283 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.6 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 4.9199999999999999 109.323 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 27.6 ttmt -137.09 147.72 46.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 3.48 109.291 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.663 ' HA ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -70.12 144.9 93.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 1.6399999999999999 108.268 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.515 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.4 Cg_endo -74.99 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 1.0900000000000001 111.036 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -166.37 143.61 5.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 5.04 110.27 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.577 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.63 133.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 2.7000000000000002 109.312 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 104.11 -27.16 20.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.57999999999999996 111.023 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -37.64 119.82 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.794 . . . . 1.4399999999999999 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 8.0 tttt -70.52 150.85 45.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 4.9900000000000002 109.329 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.1 t -154.38 162.71 41.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 2.5699999999999998 108.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -123.41 121.41 35.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 3.7000000000000002 110.332 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CG ' ' CE2' ' A' ' 16' ' ' TYR . 53.1 t80 -85.65 110.83 19.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 1.27 111.004 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.607 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -64.15 126.6 28.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 2.7599999999999998 109.291 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.9 p -88.85 -20.17 24.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 2.54 109.957 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -68.54 -9.73 51.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 7.5700000000000003 110.955 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 46.6 mttt -151.53 -62.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 4.0300000000000002 109.28 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.75 45.76 0.33 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.501 1.126 . . . . 1.6000000000000001 111.024 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 174.83 5.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 0.733 . . . . 4.8899999999999997 109.275 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.23 112.19 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 2.6299999999999999 108.325 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.432 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 28.1 m-85 -95.33 63.6 2.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 2.0800000000000001 110.968 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.663 ' SG ' ' HA ' ' A' ' 33' ' ' CYS . 4.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 3.4500000000000002 108.336 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.531 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.3 -0.63 . . . . 1.6699999999999999 109.3 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 m -71.89 150.45 44.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 1.45 110.393 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.555 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 4.9 m-30 -108.5 -169.58 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 2.8500000000000001 110.983 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 9.0 m-80 -154.9 154.05 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 2.79 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.95 -133.65 2.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.51000000000000001 111.024 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 57.7 mttt -144.9 162.5 36.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 2.5499999999999998 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -136.58 160.68 38.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.97999999999999998 108.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 21.0 m-30 -118.75 164.36 15.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 3.54 110.985 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -79.3 -77.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 4.3499999999999996 109.288 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' LYS . 6.6 ttmt -40.18 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 4.3899999999999997 109.271 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' ASN . 8.8 m-20 -53.88 -26.02 22.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 3.5099999999999998 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.571 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 5.1 t-20 38.74 59.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 2.3199999999999998 109.268 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.51 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.2 pp -132.17 -179.81 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 2.0699999999999998 109.272 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' CYS . 35.1 t -126.47 107.93 10.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.28 108.309 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' HG3' ' CD1' ' A' ' 13' ' ' ILE . 5.7 mtpp -95.06 134.01 38.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 3.77 109.286 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.615 ' CE2' HG23 ' A' ' 23' ' ' THR . 2.3 p90 -163.95 157.08 18.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.5 111.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 18' ' ' ALA . 1.1 tmtt? -92.56 97.36 10.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 4.5700000000000003 109.283 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB1' ' CG2' ' A' ' 23' ' ' THR . . . -41.8 162.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.99 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -57.75 -37.94 74.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 4.7999999999999998 110.264 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.26 -3.48 22.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 2.98 109.981 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.08 11.26 85.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 2.6800000000000002 111.015 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -44.23 56.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 6.1699999999999999 109.265 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.615 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -70.26 -170.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 5.6600000000000001 110.443 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.58 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 160.13 117.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 3.8199999999999998 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 1.6 mt 60.73 142.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 3.0299999999999998 109.322 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 27' ' ' LYS . 24.3 t -160.99 113.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.49 108.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 13.7 mttt -35.13 144.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 4.6299999999999999 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.428 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 22.9 m -95.65 135.62 37.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.5800000000000001 108.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.52 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 16.2 t80 -116.42 128.89 55.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 5.3099999999999996 110.973 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.52 ' CG1' ' C ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 72.49 145.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 4.4900000000000002 109.284 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 30' ' ' VAL . 2.5 tttm 39.2 72.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 5.7800000000000002 109.29 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 33' ' ' CYS . 12.6 ttpt -42.37 163.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 3.6499999999999999 109.243 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 5.0 t -58.16 137.84 84.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 1.3 108.296 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.493 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 -40.82 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.94999999999999996 110.967 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.6 ptt180 -171.14 140.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 5.4000000000000004 110.277 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.526 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.91 135.52 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 3.3399999999999999 109.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 100.77 -26.9 22.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.77000000000000002 111.007 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.493 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -39.61 121.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 1.46 109.283 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 149.79 49.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 3.0699999999999998 109.317 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -151.5 -175.1 5.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 2.3599999999999999 108.235 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -155.57 148.66 24.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 3.3799999999999999 110.313 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.555 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 35.5 t80 -104.16 108.03 19.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 1.7 111.037 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.604 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -73.01 137.22 45.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 2.3799999999999999 109.301 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.0 p -101.42 -18.21 16.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 2.1699999999999999 110.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.604 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -63.84 -17.25 62.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 7.6799999999999997 110.996 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 14.0 mttm -146.29 -64.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 4.3799999999999999 109.291 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.49 44.66 0.76 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 1.3300000000000001 111.019 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.473 ' NZ ' ' CD ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -97.73 -11.61 23.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 4.6299999999999999 109.28 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 55.95 83.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 3.8199999999999998 108.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.406 ' OH ' ' OH ' ' A' ' 45' ' ' TYR . 4.8 m-85 -63.96 120.2 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 2.0600000000000001 110.964 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 3.6299999999999999 108.335 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.299 -0.63 . . . . 1.79 109.299 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.1 m -59.06 145.32 42.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.71 110.358 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 19' ' ' GLN . 10.3 m-85 -103.37 -160.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 2.6400000000000001 111.033 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 11.4 m-80 -158.3 142.77 16.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 2.5099999999999998 109.329 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.14 -138.05 2.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.40999999999999998 110.956 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -147.16 147.82 30.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 4.6100000000000003 109.317 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.476 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 12.9 t -123.56 160.25 27.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 3.2599999999999998 108.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.586 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.8 m-30 -114.76 151.92 32.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 2.98 111.014 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -89.75 -48.26 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 2.9900000000000002 109.336 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -58.04 -36.3 72.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 5.9100000000000001 109.287 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.461 ' CB ' HG13 ' A' ' 13' ' ' ILE . 3.6 m-20 -97.99 -20.46 17.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 3.7200000000000002 109.256 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.586 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 2.0 t-20 49.51 53.43 12.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 2.3999999999999999 109.348 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 1.9 pp -143.97 143.82 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 2.4399999999999999 109.317 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 4.7 t -99.49 123.23 43.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 1.5 108.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 0.7 OUTLIER -114.94 131.11 57.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 5.1500000000000004 109.343 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.662 ' CE2' ' CG2' ' A' ' 23' ' ' THR . 1.2 p90 -156.52 163.85 38.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.8400000000000001 111.033 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.22 99.75 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 5.1900000000000004 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' HB1' ' CG2' ' A' ' 23' ' ' THR . . . -40.8 159.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 2.0499999999999998 109.347 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.575 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 3.0 tt0 -60.79 -16.21 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 5.46 110.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.21 9.33 3.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 2.8799999999999999 110.003 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.72 0.47 68.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 3.0699999999999998 110.993 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 23' ' ' THR . 15.6 tttm -66.17 -64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 0.737 . . . . 6.8399999999999999 109.26 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.662 ' CG2' ' CE2' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -52.15 -171.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 6.21 110.407 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.598 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . -177.64 -143.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 3.25 109.25 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.58 ' N ' ' CD1' ' A' ' 25' ' ' ILE . 1.1 mm -58.8 139.5 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 3.3399999999999999 109.293 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -144.93 107.03 4.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 1.99 108.255 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 13.5 mttt -35.58 145.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 4.5499999999999998 109.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.956 ' SG ' ' HB3' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -88.37 90.17 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.6899999999999999 108.333 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.513 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 7.4 t80 -67.75 122.12 17.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 5.9299999999999997 110.983 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.513 ' CG1' ' C ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 72.94 146.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 4.2400000000000002 109.301 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER 37.83 84.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 4.0800000000000001 109.289 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.27 179.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 4.1100000000000003 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.476 ' SG ' ' C ' ' A' ' 7' ' ' CYS . 0.5 OUTLIER -75.25 143.12 76.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 1.5600000000000001 108.298 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -43.26 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.49 1.784 . . . . 0.94999999999999996 110.991 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -166.34 136.81 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 4.2800000000000002 110.343 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.491 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -35.99 136.14 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 3.27 109.276 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 99.8 -25.15 29.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.67000000000000004 111.038 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -39.25 120.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 1.6399999999999999 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 1.2 ttmt -71.45 149.03 46.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 4.7000000000000002 109.247 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.418 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -153.76 -178.94 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 2.0899999999999999 108.333 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 5.2 mp0 -144.24 144.33 31.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 3.3700000000000001 110.26 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.473 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 93.3 t80 -102.26 98.89 8.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 1.1499999999999999 111.03 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 46' ' ' LYS . 1.1 p-10 -63.88 121.18 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 4.1699999999999999 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.4 p -88.51 15.82 7.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 2.0499999999999998 110.005 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -101.41 -27.96 12.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 6.6100000000000003 111.033 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' OD2' ' A' ' 43' ' ' ASP . 16.2 mttp -122.59 -51.83 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 4.9699999999999998 109.284 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.69 26.37 4.21 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.553 1.158 . . . . 1.05 111.025 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -83.7 -156.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 5.2999999999999998 109.257 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -156.15 69.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 3.27 108.271 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.417 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 19.9 m-85 -36.57 150.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 2.4399999999999999 110.99 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.956 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 2.7799999999999998 108.292 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.6 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.314 -0.624 . . . . 1.77 109.314 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -53.73 161.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.8100000000000001 110.389 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 0.7 OUTLIER -133.41 120.81 21.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 2.8900000000000001 110.987 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -73.99 159.53 32.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 2.29 109.303 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 172.04 -164.76 37.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.76000000000000001 110.994 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 15' ' ' LYS . 23.3 mttp -127.22 166.36 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 2.98 109.317 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -130.83 162.65 29.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.03 108.288 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.6 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 7.2 m-85 -122.65 138.13 54.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 2.2000000000000002 110.954 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 7.2 ptmt -83.33 -48.81 10.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 2.9500000000000002 109.306 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.73 -26.56 61.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 4.9900000000000002 109.337 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 5.6 m-20 -108.12 -16.64 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 2.4900000000000002 109.321 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' TYR . 14.2 t-20 48.49 62.41 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 2.3900000000000001 109.339 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.445 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.5 pp -147.82 177.8 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 1.8100000000000001 109.266 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.671 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 1.1 t -129.06 112.65 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.27 108.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.569 ' HD2' ' CD1' ' A' ' 8' ' ' TYR . 12.7 mttm -102.2 121.54 42.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 3.6200000000000001 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.575 ' CD2' ' O ' ' A' ' 17' ' ' LYS . 10.4 p90 -143.28 -149.39 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.8200000000000001 111.038 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.575 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -117.33 130.68 56.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 4.7000000000000002 109.268 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.495 ' CB ' ' N ' ' A' ' 23' ' ' THR . . . -78.2 167.01 22.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 2.0499999999999998 109.3 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -50.5 -33.95 23.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 4.3499999999999996 110.248 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.69 22.54 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 3.3100000000000001 110.048 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.89 -3.28 61.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 2.4100000000000001 110.979 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' N ' ' HB1' ' A' ' 18' ' ' ALA . 1.3 mtpm? -54.34 -87.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 5.8499999999999996 109.31 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.507 HG23 ' CZ ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -54.98 145.35 20.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 6.0499999999999998 110.385 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.462 ' C ' ' CG1' ' A' ' 25' ' ' ILE . . . -141.64 13.23 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 4.8899999999999997 109.299 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.462 ' CG1' ' C ' ' A' ' 24' ' ' ALA . 1.7 mt -151.86 154.6 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 2.79 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 14' ' ' CYS . 20.3 t -155.91 100.02 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 1.8 108.308 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' CYS . 8.5 mttt -37.88 141.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 4.04 109.335 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 56.4 m -100.42 120.0 39.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 1.3300000000000001 108.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 48' ' ' LYS . 8.8 p90 -109.51 136.95 48.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 5.4800000000000004 110.993 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 32' ' ' LYS . 3.3 t 64.0 -78.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 5.1100000000000003 109.282 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -69.82 64.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 5.5599999999999996 109.279 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.7 mtmt -47.11 164.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 4.8300000000000001 109.293 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 37.4 t -70.95 137.05 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.2 108.304 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.48 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -32.2 5.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.85999999999999999 110.995 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 172.56 141.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 7.0199999999999996 110.294 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.6 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.4 m-20 -41.72 133.11 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 4.75 109.309 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.94 -17.4 59.33 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.78000000000000003 111.017 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -53.09 119.11 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 1.6399999999999999 109.321 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 7.9 tttt -63.8 147.87 50.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 3.3999999999999999 109.337 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 1.6 t -157.5 160.91 38.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 2.1000000000000001 108.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 2.2 pm0 -131.58 130.22 41.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 3.0899999999999999 110.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.521 ' O ' ' CG2' ' A' ' 2' ' ' THR . 11.9 t80 -87.5 143.08 27.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.71 110.954 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.616 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 8.2 t70 -103.81 131.44 51.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 3.0600000000000001 109.303 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.77 19.22 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 2.0299999999999998 109.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.645 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -108.76 -11.6 15.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 6.2000000000000002 110.976 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -141.4 -47.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 4.1500000000000004 109.311 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.79 12.89 15.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.98999999999999999 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 5.5 mtpt -82.9 176.05 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 4.4299999999999997 109.306 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -124.72 98.3 5.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 2.2799999999999998 108.269 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -72.18 58.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 1.8799999999999999 111.008 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 32.9 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 1.99 108.317 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.62 . . . . 1.8999999999999999 109.327 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.21 141.33 32.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 1.54 110.386 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.402 ' CD1' ' HD2' ' A' ' 42' ' ' PHE . 5.7 m-85 -113.24 121.94 45.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 2.2400000000000002 111.01 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.03 161.04 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 2.1099999999999999 109.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.27 -143.67 5.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.40000000000000002 111.025 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' LYS . 12.3 mttp -142.94 156.65 44.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 3.0600000000000001 109.299 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.514 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 1.1 p -130.75 170.17 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.96999999999999997 108.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.604 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 3.8 m-85 -141.28 150.36 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 2.8199999999999998 110.959 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' ASN . 36.7 mttt -76.18 -65.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 5.75 109.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -39.55 -52.3 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 5.1399999999999997 109.268 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.44 ' CB ' HG13 ' A' ' 13' ' ' ILE . 31.4 m-20 -80.74 -25.25 38.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 3.21 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.604 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 2.2 t30 49.18 48.71 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 3.0299999999999998 109.316 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.504 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.6 pp -131.05 -177.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 2.2799999999999998 109.367 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 51.5 t -137.25 108.14 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 1.28 108.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.504 ' HD2' ' CE1' ' A' ' 8' ' ' TYR . 13.6 mtpt -96.66 139.25 33.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 3.6600000000000001 109.318 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.59 ' CE2' HG23 ' A' ' 23' ' ' THR . 3.6 p90 -167.32 172.21 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 1.72 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -99.27 120.8 40.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 3.96 109.263 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.484 ' HB1' ' CB ' ' A' ' 23' ' ' THR . . . -75.43 168.97 18.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 2.0499999999999998 109.282 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.78 -50.32 10.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 4.2800000000000002 110.239 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.32 19.31 13.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 3.6200000000000001 110.008 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.57 6.56 55.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 3.1400000000000001 111.008 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -16.09 30.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 5.5 109.252 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.59 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -110.67 -176.82 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 5.9800000000000004 110.415 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.558 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 162.73 121.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 3.75 109.28 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.484 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER 61.1 134.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 3.1800000000000002 109.355 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' LYS . 2.9 t -153.61 106.66 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 1.4099999999999999 108.286 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 2.6 mtpt -35.01 139.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 5.4400000000000004 109.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' TYR . 4.9 m -86.82 112.22 21.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 1.3600000000000001 108.326 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.608 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 1.9 p90 -59.29 -148.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 6.3499999999999996 110.99 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.608 ' N ' ' CG ' ' A' ' 29' ' ' TYR . 27.0 t -36.45 -63.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 5.29 109.259 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -54.34 90.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 4.8700000000000001 109.265 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.498 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 29.9 ttmt -64.35 155.4 32.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 3.73 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 49.3 t -69.36 136.72 88.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 1.1599999999999999 108.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.02 -36.86 2.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 1.1699999999999999 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.86 160.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 4.3200000000000003 110.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -55.43 135.78 50.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 3.6099999999999999 109.29 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.21 -22.27 27.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.63 111.051 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.475 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -39.77 119.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 1.76 109.274 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.14 148.34 50.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 2.8399999999999999 109.327 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 23.4 t -155.11 162.01 41.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 2.3199999999999998 108.332 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.1 pm0 -131.86 134.71 46.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 2.98 110.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.402 ' HD2' ' CD1' ' A' ' 3' ' ' TYR . 24.8 t80 -96.86 113.29 24.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 1.3700000000000001 110.989 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.599 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 1.8 t0 -83.84 131.53 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 3.0299999999999998 109.296 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 p -91.2 -13.03 33.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 2.04 110.031 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.599 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -70.54 -8.13 49.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 7.0 110.997 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 28.1 mttt -148.01 -55.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 4.2800000000000002 109.335 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.03 19.9 5.81 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 1.0900000000000001 111.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -87.13 173.06 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 0.725 . . . . 5.1500000000000004 109.277 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -122.92 97.48 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 2.4100000000000001 108.293 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -71.46 63.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 2.1699999999999999 111.022 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 1.6299999999999999 108.316 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.291 -0.633 . . . . 1.9199999999999999 109.291 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.4 ' OG1' ' OH ' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -67.67 147.02 53.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.5 110.369 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.45 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 56.3 m-85 -117.11 121.49 41.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 2.2999999999999998 110.981 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.76 160.36 30.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 2.4500000000000002 109.314 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.22 -165.16 38.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.88 110.994 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -123.82 169.69 11.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 4.8600000000000003 109.331 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -132.68 159.99 38.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.98999999999999999 108.319 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.598 ' CZ ' ' NZ ' ' A' ' 15' ' ' LYS . 6.8 m-85 -120.34 141.0 50.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 2.2799999999999998 110.963 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -85.21 -48.36 9.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 4.0899999999999999 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -55.07 -25.23 29.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 4.5599999999999996 109.317 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -112.53 -16.18 12.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 4.5099999999999998 109.297 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.491 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 15.4 t-20 48.86 59.04 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 2.1800000000000002 109.315 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.479 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.6 pp -140.3 -177.39 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.97 109.25 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 2.2 t -136.98 116.93 13.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.1599999999999999 108.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.598 ' NZ ' ' CZ ' ' A' ' 8' ' ' TYR . 26.9 mtpt -105.85 122.41 46.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 3.7599999999999998 109.29 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.746 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 27.6 p90 -140.98 161.7 37.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 1.76 111.004 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.407 ' HA ' ' OG1' ' A' ' 23' ' ' THR . 10.9 mmtt -79.91 134.4 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 4.5800000000000001 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.69 -119.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 2.3700000000000001 109.283 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -126.06 0.37 7.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 5.2300000000000004 110.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.11 11.97 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 4.9000000000000004 109.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 23' ' ' THR . . . 85.44 -15.9 43.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 2.9700000000000002 110.992 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 23' ' ' THR . 3.0 mmmp? -40.74 -29.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 6.1600000000000001 109.242 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.447 ' N ' ' C ' ' A' ' 21' ' ' GLY . 0.7 OUTLIER 52.9 106.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 6.2999999999999998 110.426 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.49 159.75 14.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 4.3099999999999996 109.331 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 15' ' ' LYS . 2.1 mm -109.15 135.82 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 4.21 109.317 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' LYS . 11.2 t -129.15 100.21 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.8400000000000001 108.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER -38.6 151.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 6.5199999999999996 109.307 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.406 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 65.8 m -75.17 178.91 5.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 1.5800000000000001 108.343 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.54 ' CD2' ' CG2' ' A' ' 30' ' ' VAL . 20.0 t80 -179.51 148.03 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 5.71 110.94 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.54 ' CG2' ' CD2' ' A' ' 29' ' ' TYR . 2.2 t 66.85 -72.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 4.1100000000000003 109.338 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' TYR . 7.2 mttt -107.87 80.45 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 4.4900000000000002 109.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -40.43 160.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 3.3300000000000001 109.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 42.6 t -58.68 135.99 86.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.22 108.277 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.95 -33.97 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.71999999999999997 110.995 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER 172.66 140.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 6.3200000000000003 110.298 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.56 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 21.0 m-20 -40.35 131.76 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 4.0300000000000002 109.282 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.93 -17.47 56.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.56999999999999995 111.006 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.483 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -55.7 120.2 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 1.3700000000000001 109.27 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -66.48 147.92 52.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 4.9100000000000001 109.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 5.2 t -159.32 162.42 35.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 2.25 108.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 2.1 pm0 -130.39 132.82 45.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 3.1400000000000001 110.31 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.746 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 34.1 t80 -93.02 119.19 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 1.3600000000000001 111.022 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.47 124.3 28.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 2.6000000000000001 109.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.15 21.27 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.6000000000000001 109.942 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.601 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -104.94 -26.28 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 5.7800000000000002 111.003 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -126.95 -53.5 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 4.8899999999999997 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 114.98 19.46 5.97 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.115 . . . . 1.1799999999999999 110.956 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -179.5 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 4.29 109.33 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 100.89 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 2.6400000000000001 108.257 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -76.98 54.61 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 2.2599999999999998 111.005 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.0 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.5700000000000001 108.329 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.277 -0.638 . . . . 2.4900000000000002 109.277 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.52 148.31 22.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 1.6499999999999999 110.413 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.573 ' CE2' ' HG3' ' A' ' 19' ' ' GLN . 4.0 m-85 -115.31 112.46 22.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 2.7799999999999998 110.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.683 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.9 OUTLIER -89.68 136.54 32.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 2.2799999999999998 109.267 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.57 -135.47 1.82 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.71999999999999997 111.018 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 8.5 mttt -139.44 162.14 35.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 2.6699999999999999 109.336 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -128.87 172.11 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 108.295 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.555 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 5.7 m-85 -137.1 139.31 41.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 2.5899999999999999 111.005 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.8 mttt -60.72 -72.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 3.8999999999999999 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -39.74 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 3.9399999999999999 109.35 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.468 ' CB ' HG13 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -54.44 -23.63 16.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 3.1600000000000001 109.308 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.555 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 11.8 t-20 41.89 60.06 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 2.2599999999999998 109.299 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.522 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 1.2 pp -142.32 -175.9 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 2.1699999999999999 109.279 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 12.9 t -132.91 112.21 11.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 1.29 108.315 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' CG ' HG22 ' A' ' 25' ' ' ILE . 7.8 mttm -106.88 139.54 41.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 5.29 109.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.649 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -140.87 -175.99 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 1.6200000000000001 111.014 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HA ' ' OG1' ' A' ' 23' ' ' THR . 0.5 OUTLIER -92.1 29.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 4.8099999999999996 109.277 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . 37.28 -139.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 2.6000000000000001 109.355 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.573 ' HG3' ' CE2' ' A' ' 3' ' ' TYR . 3.1 mt-30 -125.46 0.4 7.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 4.2800000000000002 110.345 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.07 18.65 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 3.9399999999999999 109.98 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 23' ' ' THR . . . 86.23 -18.94 29.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 2.98 110.972 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' A' ' 23' ' ' THR . 3.5 mtmm -45.03 -26.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 7.5800000000000001 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.467 ' OG1' ' HA ' ' A' ' 17' ' ' LYS . 1.0 OUTLIER 50.8 105.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 7.5700000000000003 110.389 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.605 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . -109.1 161.12 15.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 4.0899999999999999 109.298 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.451 HG22 ' CG ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -112.96 139.18 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 4.4900000000000002 109.301 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.1 t -127.22 98.87 5.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 2.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -39.12 142.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 5.7699999999999996 109.339 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 76.3 m -91.19 125.36 35.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 1.28 108.289 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.522 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 1.3 p90 -111.92 136.01 51.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 6.0999999999999996 111.033 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 32' ' ' LYS . 22.2 t 63.76 -79.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 5.21 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.584 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 12.3 tttp -70.06 62.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 4.6699999999999999 109.294 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -43.37 164.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 3.4300000000000002 109.285 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 41.1 t -68.34 135.95 91.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 1.27 108.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -33.86 4.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.763 . . . . 0.77000000000000002 111.014 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 0.0 OUTLIER 174.94 147.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 7.0099999999999998 110.315 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.83 133.07 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 2.9399999999999999 109.272 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.51 -29.14 12.05 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.46 1.1 . . . . 0.63 111.035 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -39.66 122.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 1.49 109.283 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.17 149.02 43.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 3.4300000000000002 109.314 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 4.7 t -160.57 162.04 32.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 2.3999999999999999 108.276 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -130.93 133.72 46.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 3.3599999999999999 110.302 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -99.02 120.37 39.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 1.71 111.005 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.503 ' HB3' ' CD2' ' A' ' 45' ' ' TYR . 6.9 m-20 -86.19 116.33 24.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 2.98 109.33 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.16 4.2 18.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 4.7400000000000002 109.991 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.503 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 1.9 m-85 -81.49 -44.29 17.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 6.6799999999999997 110.972 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -113.48 -48.03 2.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 4.5199999999999996 109.292 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.94 18.52 6.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 1.75 111.01 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.522 ' HG2' ' CE2' ' A' ' 29' ' ' TYR . 2.9 mtpt -75.78 -170.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 5.5300000000000002 109.325 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 2.7 t -143.93 92.55 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 2.6200000000000001 108.318 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.4 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 6.7 m-30 -70.63 77.86 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 2.2400000000000002 110.983 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 1.8600000000000001 108.328 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.305 -0.628 . . . . 2.5600000000000001 109.305 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.04 133.53 53.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.8700000000000001 110.383 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 18' ' ' ALA . 89.3 m-85 -100.7 126.16 47.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 3.5699999999999998 110.964 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.419 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -94.27 152.22 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.8 109.286 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.98 -130.53 1.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.55000000000000004 110.973 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.409 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 30.9 mttt -143.01 160.49 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 2.7599999999999998 109.332 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' ALA . 4.4 p -132.66 166.2 22.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 1.05 108.276 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' ASN . 6.6 m-85 -130.74 135.48 47.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 2.4500000000000002 110.958 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -80.22 -48.84 12.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 3.2799999999999998 109.325 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -54.73 -26.23 32.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 4.5099999999999998 109.305 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.432 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -110.08 -14.16 14.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 3.3999999999999999 109.294 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 8' ' ' TYR . 17.1 t-20 45.0 58.4 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 2.21 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 15' ' ' LYS . 2.8 pp -139.87 170.29 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 1.9399999999999999 109.315 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -120.54 122.16 39.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 2.1299999999999999 108.292 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 13' ' ' ILE . 2.2 mttt -114.45 147.74 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 4.9500000000000002 109.27 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -161.48 -172.95 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 2.8799999999999999 111.022 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 6.0 ttpt -73.39 -18.14 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 5.96 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 3' ' ' TYR . . . 81.51 -162.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 2.9500000000000002 109.28 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -93.65 -64.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 5.9500000000000002 110.271 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -38.82 -31.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 3.0899999999999999 110.019 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 19' ' ' GLN . . . 117.97 -12.6 13.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.459 1.099 . . . . 4.2300000000000004 111.001 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -78.96 -107.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.763 . . . . 9.8300000000000001 109.318 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.6 m -154.31 164.1 39.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 7.0499999999999998 110.383 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.463 ' HB1' ' CB ' ' A' ' 18' ' ' ALA . . . -174.21 158.36 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 3.5099999999999998 109.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mt -118.48 155.15 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 3.0800000000000001 109.314 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' LYS . 24.0 p -148.95 100.03 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 2.3599999999999999 108.311 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -38.57 143.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 4.8399999999999999 109.302 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.938 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 34.9 m -93.24 123.51 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.3899999999999999 108.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.581 ' CE1' ' CG2' ' A' ' 30' ' ' VAL . 7.7 p90 -112.46 5.06 17.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 4.75 111.032 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.581 ' CG2' ' CE1' ' A' ' 29' ' ' TYR . 1.8 t -121.23 -142.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 4.25 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -49.21 93.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 5.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.26 152.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 5.2699999999999996 109.302 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 2.0 t -57.96 141.85 80.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 1.3500000000000001 108.325 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.92 -40.75 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.88 110.987 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -174.41 139.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 5.5800000000000001 110.312 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.485 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -37.34 132.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 2.8599999999999999 109.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.5 -22.68 36.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 1.0600000000000001 111.013 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -42.3 122.26 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 1.5 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.05 149.99 48.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 3.2999999999999998 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER -155.17 176.57 12.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 2.2999999999999998 108.32 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -141.74 129.04 21.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 3.2400000000000002 110.284 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.572 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 36.3 t80 -99.37 135.89 40.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 1.1799999999999999 110.995 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.576 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . 76.5 m-20 -80.28 130.65 35.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 2.5899999999999999 109.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.402 ' C ' ' CD2' ' A' ' 45' ' ' TYR . 21.2 p -89.01 59.2 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.9099999999999999 109.981 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 43' ' ' ASP . 4.7 p90 169.71 -29.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 4.8499999999999996 110.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 2.9 mttp -85.02 -34.59 22.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 4.2199999999999998 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.11 16.76 79.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 1.4399999999999999 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.51 ' HG2' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -104.53 -175.31 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 4.5099999999999998 109.319 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.646 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -130.69 95.09 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 2.3300000000000001 108.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -67.66 63.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 2.1499999999999999 111.004 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.938 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.8 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 1.6000000000000001 108.309 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.316 -0.624 . . . . 2.23 109.316 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.41 138.78 37.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.8200000000000001 110.379 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.444 ' CB ' ' CD1' ' A' ' 16' ' ' TYR . 26.9 m-85 -108.22 118.68 37.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 2.52 111.001 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.429 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -78.78 160.48 27.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 2.3599999999999999 109.298 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.82 -154.45 24.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.53000000000000003 110.991 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 168.14 13.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 3.48 109.291 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' ALA . 2.0 p -134.73 168.83 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 1.03 108.281 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 12' ' ' ASN . 8.2 m-85 -131.48 137.33 48.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 2.46 110.948 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 35' ' ' ARG . 8.9 ptmt -81.13 -52.37 7.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 2.9399999999999999 109.314 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -51.31 -31.47 21.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 5.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 15.4 m-20 -104.07 -18.37 14.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 2.8599999999999999 109.321 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 8' ' ' TYR . 15.4 t-20 50.2 64.51 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 2.29 109.291 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.434 ' CG1' ' HB3' ' A' ' 11' ' ' ASP . 2.6 pp -154.11 165.78 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 2.0800000000000001 109.319 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.36 128.41 50.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 1.3600000000000001 108.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -113.62 141.99 46.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 4.0300000000000002 109.327 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.62 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 50.2 p90 -156.9 166.01 34.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 2.5299999999999998 110.98 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -78.52 128.14 33.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 4.7800000000000002 109.313 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.67 149.26 50.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 2.3399999999999999 109.344 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -42.13 -30.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 5.6399999999999997 110.274 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.98 -55.01 6.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 3.02 110.011 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 22' ' ' LYS . . . 154.04 -22.0 0.68 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.447 1.092 . . . . 3.6099999999999999 111.037 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 21' ' ' GLY . 7.1 tptp -61.57 -123.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 10.52 109.332 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 m -159.18 139.36 12.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 6.6500000000000004 110.406 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.549 ' HB1' ' CE1' ' A' ' 16' ' ' TYR . . . -130.81 127.31 38.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 4.4000000000000004 109.315 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.54 140.12 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 3.3399999999999999 109.33 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.9 t -125.13 99.71 6.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 2.2200000000000002 108.362 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -39.61 145.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 3.7200000000000002 109.301 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.434 ' SG ' ' CA ' ' A' ' 13' ' ' ILE . 64.2 m -96.28 75.35 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 1.48 108.281 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.619 ' CD2' ' O ' ' A' ' 29' ' ' TYR . 23.5 p90 -103.23 39.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 5.4199999999999999 111.019 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -158.23 -76.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 4.9500000000000002 109.264 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.665 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.8 mmtp -106.33 85.9 2.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 5.29 109.324 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -38.88 156.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 5.2599999999999998 109.304 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.436 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 27.6 t -78.37 138.76 59.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.23 108.263 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -33.84 4.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.70999999999999996 110.978 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.471 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 12.3 ptm180 176.96 149.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 5.6299999999999999 110.298 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -44.75 131.53 6.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 3.02 109.306 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.7 -27.66 18.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.68999999999999995 110.987 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.475 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.26 121.52 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 1.4299999999999999 109.315 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 148.37 49.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 4.0599999999999996 109.275 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 14.3 t -167.04 162.08 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 2.3999999999999999 108.284 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 4.8 pt-20 -125.97 145.69 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 4.46 110.268 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.62 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 22.8 t80 -102.64 110.95 23.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.75 111.012 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.21 124.73 26.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 4.0800000000000001 109.327 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 p -89.57 14.75 10.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 2.1000000000000001 110.01 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -94.88 -30.09 14.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 6.2599999999999998 111.03 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -129.95 -46.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 4.5300000000000002 109.289 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.463 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 111.07 24.73 5.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 1.6000000000000001 110.973 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' CD ' ' OH ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -88.77 174.86 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 5.1900000000000004 109.298 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -121.21 91.12 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 2.9900000000000002 108.323 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -67.21 67.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 2.3300000000000001 110.981 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.665 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 1.8 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 1.9299999999999999 108.302 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.292 -0.632 . . . . 1.8999999999999999 109.292 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.92 124.86 28.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.54 110.391 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 57.7 m-85 -90.56 125.22 35.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 2.25 110.98 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.692 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.8 OUTLIER -83.99 162.41 20.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 2.27 109.289 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 174.53 -142.76 6.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.53000000000000003 111.014 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -140.43 169.62 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 4.5700000000000003 109.282 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.5 p -135.07 154.04 51.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 1.0800000000000001 108.319 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.587 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 32.5 m-85 -114.56 133.59 55.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 2.96 111.014 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 3.2 mttt -59.65 -69.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 4.4400000000000004 109.294 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -41.45 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 5.7999999999999998 109.353 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -53.95 -20.63 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.117 . . . . 4.1100000000000003 109.335 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.674 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 1.6 t-20 41.18 64.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 2.1899999999999999 109.318 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 1.9 pp -140.93 -174.6 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 2.1000000000000001 109.311 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -123.92 102.93 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 1.3899999999999999 108.329 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -93.0 128.0 38.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 5.3499999999999996 109.257 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.623 ' CE2' HG23 ' A' ' 23' ' ' THR . 3.6 p90 -158.27 175.66 13.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.46 111.018 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -95.75 141.85 28.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 5.1500000000000004 109.295 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.47 ' HB1' ' CB ' ' A' ' 23' ' ' THR . . . -92.05 162.28 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.9199999999999999 109.319 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -27.05 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 4.6200000000000001 110.297 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.81 20.97 6.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 2.7200000000000002 109.976 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.86 11.44 37.12 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 2.5 111.009 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -71.33 -67.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 6.46 109.332 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.623 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -49.25 178.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 5.8700000000000001 110.401 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.551 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 166.37 120.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 3.8599999999999999 109.308 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 7.0 mt 62.07 135.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 2.75 109.339 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -142.54 110.05 5.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 1.3700000000000001 108.322 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.487 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -35.57 132.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 5.6200000000000001 109.257 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 21.5 m -95.21 121.16 36.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 1.4299999999999999 108.275 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.676 ' CE1' ' CG1' ' A' ' 30' ' ' VAL . 27.5 p90 -116.27 3.56 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 4.9100000000000001 111.012 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.676 ' CG1' ' CE1' ' A' ' 29' ' ' TYR . 18.9 m -117.01 -137.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 4.9199999999999999 109.323 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -51.74 90.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 4.5800000000000001 109.33 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -37.84 154.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 5.8399999999999999 109.307 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 17.0 t -63.87 135.46 96.31 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 1.3400000000000001 108.269 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -74.98 -31.72 6.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.66000000000000003 111.007 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 171.84 140.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 6.0599999999999996 110.242 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.587 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 23.6 m-20 -38.75 130.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 4.04 109.314 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.48 -19.9 48.83 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.65000000000000002 110.971 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -53.1 120.64 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 1.75 109.278 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -61.7 149.18 40.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 4.5599999999999996 109.27 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 4.6 t -158.9 161.74 36.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 2.0699999999999998 108.317 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 6.0 pt-20 -130.02 145.2 51.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 3.6000000000000001 110.319 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.504 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 44.8 t80 -109.03 112.12 24.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 1.1000000000000001 111.035 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.599 ' CG ' ' CE1' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -69.36 130.45 42.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 2.4100000000000001 109.263 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 p -94.34 -21.85 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.74 109.975 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.599 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -64.88 -10.91 32.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 7.6900000000000004 110.991 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.512 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 24.3 mttm -143.54 -54.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 4.4299999999999997 109.309 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.47 1.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 1.22 111.017 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -113.14 -178.61 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 4.21 109.294 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.42 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -108.68 131.86 54.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 2.8500000000000001 108.294 -179.967 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -122.27 50.93 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 2.2400000000000002 110.983 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 97.6 m . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 2.0800000000000001 108.33 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.871 ' N ' ' HH ' ' A' ' 45' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 1.78 109.309 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.405 ' OG1' ' OH ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -69.81 141.11 53.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 1.51 110.387 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -108.13 116.16 31.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 2.3799999999999999 111.004 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.95 146.43 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 1.98 109.317 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.72 -133.88 1.66 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.46999999999999997 111.021 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' LYS . 34.9 mttp -145.39 156.45 43.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 3.0699999999999998 109.3 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 1.7 p -119.9 167.88 11.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 1.1499999999999999 108.318 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 52.8 m-85 -133.94 130.21 37.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 2.7799999999999998 110.984 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.2 mttt -56.97 -70.4 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 3.8700000000000001 109.3 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' LYS . 12.8 ttpt -39.64 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 5.2999999999999998 109.293 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' ASN . 1.3 m-20 -52.62 -21.02 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 3.52 109.278 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.541 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 8.6 t-20 40.29 63.28 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 2.2400000000000002 109.283 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.3 pp -140.69 -176.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 2.1200000000000001 109.285 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -121.0 105.76 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.77 108.333 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -94.35 132.42 38.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 5.6900000000000004 109.34 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.617 ' CE2' HG23 ' A' ' 23' ' ' THR . 1.8 p90 -160.71 165.59 30.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.6299999999999999 110.979 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.59 100.93 12.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 3.48 109.289 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.491 ' HB1' ' CG2' ' A' ' 23' ' ' THR . . . -47.59 173.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 2.1200000000000001 109.262 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -41.82 88.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 5.1500000000000004 110.324 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.64 1.33 15.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 3.7400000000000002 109.958 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.4 -4.35 81.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.545 1.153 . . . . 2.7000000000000002 110.973 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -36.67 50.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 0.721 . . . . 6.5700000000000003 109.298 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.617 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -85.27 -174.34 5.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 5.2999999999999998 110.436 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.581 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 161.73 115.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 4.0099999999999998 109.269 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.51 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 52.4 mt 61.6 141.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 3.0899999999999999 109.284 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.54 ' O ' ' C ' ' A' ' 27' ' ' LYS . 7.1 t -158.06 120.96 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 1.6000000000000001 108.264 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' C ' ' O ' ' A' ' 26' ' ' CYS . 12.4 mmtt -29.8 141.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 5.9500000000000002 109.266 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.1 m -86.51 -179.02 6.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.8300000000000001 108.35 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.655 ' CD2' ' CG2' ' A' ' 30' ' ' VAL . 29.8 t80 179.64 162.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 4.5999999999999996 110.986 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.655 ' CG2' ' CD2' ' A' ' 29' ' ' TYR . 3.9 t 72.65 -73.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 4.2300000000000004 109.311 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.31 97.78 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 4.1900000000000004 109.326 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -41.16 161.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 4.8200000000000003 109.333 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 23.1 t -62.35 136.29 95.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.24 108.313 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -74.99 -33.14 4.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.75 111.026 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 172.68 143.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 6.7000000000000002 110.313 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.495 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.47 138.25 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 3.1800000000000002 109.281 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.97 -24.11 20.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.11 . . . . 0.60999999999999999 111.016 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.494 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -45.89 117.89 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 1.45 109.29 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 148.35 40.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 3.77 109.289 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -156.04 169.42 24.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 2.5 108.281 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -140.91 127.12 19.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 3.6899999999999999 110.33 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.414 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 19.9 t80 -94.56 115.92 28.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.6699999999999999 111.029 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.61 ' OD2' ' CD2' ' A' ' 45' ' ' TYR . 7.1 t70 -75.71 133.02 40.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 3.0699999999999998 109.307 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 p -102.32 17.8 22.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 2.0099999999999998 110.029 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.871 ' HH ' ' N ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -109.64 -15.34 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 6.8899999999999997 110.99 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -127.93 -51.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 5.1200000000000001 109.281 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.14 25.66 6.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 1.28 110.966 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.81 174.4 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 4.04 109.281 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -110.49 101.69 10.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.5099999999999998 108.314 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -77.71 55.6 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 2.1699999999999999 110.976 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.0 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 1.6299999999999999 108.283 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.258 -0.645 . . . . 1.76 109.258 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.404 ' OG1' ' OH ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -59.44 147.01 38.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 1.79 110.408 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -116.81 117.95 31.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 2.29 110.998 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.482 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -87.19 152.22 22.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 1.78 109.303 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.42 -129.47 1.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.53000000000000003 111.01 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -145.9 160.94 41.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 2.6400000000000001 109.255 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 4.3 p -135.92 161.85 34.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.03 108.244 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.636 ' O ' ' N ' ' A' ' 12' ' ' ASN . 4.1 m-85 -129.98 126.73 38.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 2.5099999999999998 110.973 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.516 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -55.01 -58.06 9.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 3.2400000000000002 109.279 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 1.3 tptp -43.31 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 5.2999999999999998 109.28 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.448 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 2.4 m-20 -62.59 -12.66 24.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 3.3399999999999999 109.31 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.636 ' N ' ' O ' ' A' ' 8' ' ' TYR . 56.4 t30 37.6 68.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 2.4399999999999999 109.303 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.486 ' CD1' ' HG3' ' A' ' 15' ' ' LYS . 2.7 pp -145.03 167.03 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.79 109.325 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -117.81 115.58 25.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 1.46 108.304 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' HG3' ' CD1' ' A' ' 13' ' ' ILE . 24.0 mttt -99.38 137.41 37.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 4.6699999999999999 109.292 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.793 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 21.6 p90 -159.13 162.93 36.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.9099999999999999 110.993 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HA ' ' OG1' ' A' ' 23' ' ' THR . 5.9 mmtt -66.47 161.31 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 4.2300000000000004 109.33 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 19' ' ' GLN . . . -121.33 40.09 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 3.1899999999999999 109.325 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 13.0 tt0 68.22 -58.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 4.5199999999999996 110.279 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -81.69 6.07 16.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 4.5199999999999996 110.039 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 23' ' ' THR . . . 84.6 -11.31 59.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 2.7799999999999998 111.04 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 23' ' ' THR . 3.8 mttp -41.58 -28.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 6.4900000000000002 109.272 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.46 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER 47.85 101.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 7.25 110.397 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.85 174.62 5.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 3.8500000000000001 109.263 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.463 ' CG2' HD12 ' A' ' 13' ' ' ILE . 6.4 mt -113.39 156.48 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 3.0600000000000001 109.256 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' CYS . 32.6 t -139.37 103.41 4.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 1.9299999999999999 108.323 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -40.6 148.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 3.8900000000000001 109.305 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.239 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -84.34 128.24 34.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 1.2 108.289 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -127.33 150.54 49.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 5.2699999999999996 111.027 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t 74.87 -69.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 3.8799999999999999 109.321 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -123.79 121.2 34.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 4.7199999999999998 109.319 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -61.02 -177.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 7.3700000000000001 109.311 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -82.72 145.77 51.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 1.3400000000000001 108.327 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.466 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.01 -43.48 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.80000000000000004 111.021 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -172.43 148.74 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 5.8600000000000003 110.293 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -44.19 135.59 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 2.8100000000000001 109.318 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.76 -23.74 21.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.147 . . . . 0.90000000000000002 111.047 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -40.02 119.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 1.72 109.265 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 1.4 ttpm? -65.31 146.69 54.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 3.3900000000000001 109.271 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -158.35 160.49 36.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 2.1400000000000001 108.273 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -124.08 131.63 53.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 3.29 110.351 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.793 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 38.4 t80 -98.28 113.66 25.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 1.1000000000000001 111.033 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.608 ' OD2' ' CD2' ' A' ' 45' ' ' TYR . 9.4 t70 -66.58 130.55 43.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 3.3199999999999998 109.301 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.1 13.48 29.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.73 110.02 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.634 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -109.17 -24.79 10.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 5.8899999999999997 111.029 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -120.98 -59.63 1.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 4.7000000000000002 109.297 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.57 14.07 7.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 1.24 111.039 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -79.12 -168.98 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 4.3399999999999999 109.288 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.06 98.06 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 2.6800000000000002 108.244 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -77.26 53.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 2.4700000000000002 110.998 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 1.239 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.5 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 1.6699999999999999 108.324 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.317 -0.623 . . . . 2.23 109.317 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.18 136.95 55.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.8300000000000001 110.41 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -107.86 114.9 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 2.4300000000000002 110.986 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -72.38 162.63 29.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 2.3500000000000001 109.298 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.6 -145.31 9.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.097 . . . . 0.46999999999999997 111.024 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -133.86 160.8 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.76 . . . . 2.79 109.319 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.421 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 1.2 p -121.7 161.84 21.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.0700000000000001 108.3 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 12.0 m-85 -121.41 137.08 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 2.5 111.044 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 7.2 ptmt -83.69 -48.5 10.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 3.6200000000000001 109.309 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -58.45 -24.83 61.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 4.3300000000000001 109.313 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.408 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 7.6 m-20 -110.39 -13.9 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 2.6099999999999999 109.266 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.523 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 11.3 t-20 46.5 59.08 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 2.27 109.286 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -141.55 178.26 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 1.8799999999999999 109.277 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' CB ' ' SG ' ' A' ' 49' ' ' CYS . 2.5 t -132.52 112.67 12.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 1.22 108.298 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -94.01 162.78 13.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 4.3700000000000001 109.327 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.757 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 54.1 p90 -178.31 165.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 2.4900000000000002 111.008 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -76.16 126.82 31.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 3.9700000000000002 109.347 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.76 149.04 50.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 2.4300000000000002 109.303 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -41.85 -35.86 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 5.2599999999999998 110.317 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.24 -50.26 34.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 3.8399999999999999 110.009 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' LYS . . . 151.53 -20.35 0.92 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 3.8399999999999999 111.001 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 21' ' ' GLY . 4.0 tttm -61.33 -123.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 9.8399999999999999 109.307 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -161.66 136.19 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 6.8499999999999996 110.369 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.586 ' O ' ' CD2' ' A' ' 16' ' ' TYR . . . -129.98 137.27 50.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 4.1100000000000003 109.273 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.443 ' CG2' HD11 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -98.14 147.61 6.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 4.1100000000000003 109.292 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.462 ' SG ' ' CD1' ' A' ' 42' ' ' PHE . 37.1 t -139.07 101.3 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 1.8500000000000001 108.283 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -39.62 145.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 5.0700000000000003 109.304 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.101 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 61.6 m -92.14 129.01 38.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 1.28 108.317 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CZ ' ' HE2' ' A' ' 48' ' ' LYS . 2.3 p90 -112.43 132.16 55.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 6.6299999999999999 111.018 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 32' ' ' LYS . 78.9 t 63.92 -78.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 4.8899999999999997 109.307 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' TYR . 4.3 mtmt -69.22 63.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 5.5899999999999999 109.31 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.2 ttpt -44.46 161.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 3.2200000000000002 109.267 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 36.1 t -68.51 136.89 90.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.23 108.282 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -32.72 5.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.79000000000000004 111.044 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.461 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 1.6 ptp180 171.77 138.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 5.1299999999999999 110.284 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.533 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.6 m-20 -39.5 133.51 1.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 4.5499999999999998 109.341 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.42 -16.66 59.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.76000000000000001 110.951 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -57.05 121.48 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 1.75 109.33 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 8.7 tttt -61.59 149.85 37.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 4.5999999999999996 109.304 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.429 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 1.7 p -167.35 -179.46 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 2.2799999999999998 108.271 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -146.97 140.45 25.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 3.6200000000000001 110.275 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.757 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 19.2 t80 -96.77 111.74 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.8300000000000001 110.985 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.596 ' CG ' ' CE1' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -68.8 137.81 54.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 2.9399999999999999 109.288 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 p -105.15 -25.19 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 2.1600000000000001 109.979 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.596 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 2.6 p90 -54.13 -22.26 10.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 7.7800000000000002 111.012 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 2.6 ptmm? -143.87 -45.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 6.9000000000000004 109.271 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.86 17.05 5.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 1.02 110.993 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HE2' ' CZ ' ' A' ' 29' ' ' TYR . 0.5 OUTLIER -67.01 -165.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.757 . . . . 4.6600000000000001 109.31 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -147.75 87.79 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 2.3399999999999999 108.277 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.529 ' CE1' ' OD2' ' A' ' 43' ' ' ASP . 4.4 m-30 -67.09 68.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 2.1899999999999999 110.982 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 1.101 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.6 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 1.8799999999999999 108.281 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.503 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 2.3799999999999999 109.288 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.23 143.85 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 1.6599999999999999 110.413 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.503 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 5.1 m-85 -118.66 124.53 47.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 2.3399999999999999 111.001 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.42 ' N ' HD21 ' A' ' 4' ' ' ASN . 2.2 m-80 -89.93 161.94 15.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 2.48 109.311 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.14 -135.62 3.13 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.46999999999999997 110.998 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -139.64 165.97 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 2.8599999999999999 109.348 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' ALA . 2.0 p -136.81 172.04 13.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 1.0 108.326 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.4 m-85 -135.94 133.08 37.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 2.3500000000000001 111.019 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.47 -48.82 46.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 3.04 109.33 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -53.34 -54.44 36.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 5.79 109.314 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.424 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 59.9 m-20 -82.46 -8.41 59.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 2.8500000000000001 109.298 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.532 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 15.9 t-20 39.6 56.31 2.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 2.3900000000000001 109.33 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.424 ' CG1' ' HB3' ' A' ' 11' ' ' ASP . 2.7 pp -141.04 171.32 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 1.95 109.295 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.93 123.64 35.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 1.3100000000000001 108.335 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -104.63 131.98 51.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 4.7199999999999998 109.289 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.631 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 40.0 p90 -156.43 166.07 34.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 2.1000000000000001 111.001 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 21' ' ' GLY . 1.7 mtmm -76.41 135.62 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 4.7800000000000002 109.332 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.77 -170.83 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 2.1200000000000001 109.29 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -27.44 68.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 6.71 110.316 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.6 -30.54 41.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 4.1900000000000004 109.973 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.502 ' O ' ' CE ' ' A' ' 17' ' ' LYS . . . 112.61 -6.72 26.2 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.437 1.086 . . . . 4.2699999999999996 110.951 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -65.11 -106.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 8.2799999999999994 109.301 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.6 m -150.28 169.33 21.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 7.6299999999999999 110.406 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 16' ' ' TYR . . . -174.47 125.73 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 4.0999999999999996 109.284 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 mt -93.87 134.03 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 3.1000000000000001 109.311 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -131.0 97.85 4.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.98 108.28 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' CYS . 0.3 OUTLIER -38.59 144.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 5.6900000000000004 109.31 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 61.8 m -86.9 115.49 24.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.3400000000000001 108.274 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' LYS . 13.9 t80 -102.33 127.86 49.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 6.5 111.013 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 t 66.26 -73.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 4.0099999999999998 109.303 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -73.58 61.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 6.29 109.313 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 1.4 ttpt -44.54 159.34 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 3.1499999999999999 109.332 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.465 ' SG ' ' CA ' ' A' ' 8' ' ' TYR . 27.3 t -67.23 138.94 94.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 1.1899999999999999 108.271 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -43.38 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.79000000000000004 110.997 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 11.3 ptm180 -171.65 144.46 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 5.8099999999999996 110.257 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.487 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -39.47 134.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 2.8799999999999999 109.308 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 92.8 -24.96 21.58 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.49 1.119 . . . . 0.79000000000000004 111.033 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.22 123.58 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 0.745 . . . . 1.9299999999999999 109.285 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -71.37 147.67 47.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 3.0299999999999998 109.285 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 10.8 t -161.42 162.21 30.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 2.3100000000000001 108.306 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.426 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 1.4 pm0 -126.15 134.17 51.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 3.2999999999999998 110.337 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.631 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 63.7 t80 -92.71 119.4 32.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.3899999999999999 110.964 -179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.484 ' CB ' ' CD1' ' A' ' 45' ' ' TYR . 3.0 m-20 -91.47 123.14 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 4.2999999999999998 109.299 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.3 p -74.3 -16.29 60.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 2.0299999999999998 110.011 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -54.5 -23.69 17.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 8.5299999999999994 110.969 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -156.25 -46.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 7.0099999999999998 109.316 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.545 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 116.39 11.6 9.54 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 2.0099999999999998 110.994 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 121.31 18.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 7.6399999999999997 109.312 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -69.06 94.66 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 2.98 108.314 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -71.45 59.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 2.02 110.963 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.3 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 1.6200000000000001 108.296 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.575 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.302 -0.629 . . . . 1.9299999999999999 109.302 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.04 141.38 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.8100000000000001 110.418 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.575 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 6.5 m-85 -107.65 123.93 49.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 2.5600000000000001 110.976 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.687 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.9 OUTLIER -91.53 154.12 19.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 2.4700000000000002 109.321 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.43 -140.42 3.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.453 1.095 . . . . 0.47999999999999998 111.003 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -139.51 157.45 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 2.48 109.309 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -125.5 160.57 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0800000000000001 108.322 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 6.9 m-85 -115.72 147.0 41.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 2.2599999999999998 110.997 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 2.2 ptmt -88.53 -51.49 5.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 2.8999999999999999 109.277 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -58.21 -21.51 48.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 3.8500000000000001 109.304 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.432 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -109.99 -24.42 10.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 2.6600000000000001 109.283 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.587 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.5 t-20 54.09 53.44 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 2.23 109.324 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.8 pp -138.17 -179.57 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 2.1899999999999999 109.322 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' CB ' ' SG ' ' A' ' 49' ' ' CYS . 2.5 t -131.54 125.1 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 1.26 108.316 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 8' ' ' TYR . 25.9 mttt -108.86 120.93 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 3.8999999999999999 109.281 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.612 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 13.0 p90 -144.77 171.75 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 1.4299999999999999 110.98 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -77.53 156.3 31.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 4.3099999999999996 109.279 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.49 164.2 12.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 2.1400000000000001 109.274 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -38.68 -71.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 7.0199999999999996 110.323 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.4 -48.91 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 3.4199999999999999 110.047 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' LYS . . . 142.38 -13.64 2.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 3.5699999999999998 111.023 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 21' ' ' GLY . 11.2 ttmm -60.97 -120.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 8.6600000000000001 109.299 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -161.8 157.23 23.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 6.8600000000000003 110.383 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.598 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . -142.85 139.79 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 4.4900000000000002 109.277 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.451 ' CG2' HD11 ' A' ' 13' ' ' ILE . 2.2 mt -103.26 137.52 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 3.4700000000000002 109.316 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 47' ' ' GLY . 25.8 t -137.71 100.13 4.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 1.77 108.333 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -42.73 143.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 5.0199999999999996 109.274 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 1.1 m -79.78 102.17 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.55 108.26 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CE1' ' CG2' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -89.52 20.86 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 4.8200000000000003 110.991 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.589 ' CG2' ' CE1' ' A' ' 29' ' ' TYR . 1.7 t -131.45 -145.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 4.8099999999999996 109.302 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -61.07 108.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 5.6699999999999999 109.324 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 31' ' ' LYS . 15.0 ttpt -35.88 150.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 4.3200000000000003 109.334 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.495 ' HB3' ' CA ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -58.63 140.65 85.07 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.46 108.3 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.97 -19.81 17.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 1.3100000000000001 111.01 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER 166.0 134.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 6.2199999999999998 110.306 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.574 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -37.24 131.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 5.4800000000000004 109.328 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.14 -23.78 24.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.62 110.955 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -45.62 122.97 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 1.4099999999999999 109.307 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -67.18 148.75 51.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 3.1899999999999999 109.309 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 1.3 t -159.48 161.49 35.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 2.1899999999999999 108.332 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -127.35 134.58 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 3.0499999999999998 110.311 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 1.2 t80 -100.43 127.55 46.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 1.51 111.015 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.61 ' OD1' ' CE2' ' A' ' 50' ' ' TYR . 8.5 m-20 -82.95 136.57 34.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 3.23 109.306 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.05 -15.21 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.99 110.008 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -60.68 -22.67 64.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 8.5 110.992 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -151.2 -46.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 5.5599999999999996 109.262 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.564 ' HA2' ' CZ ' ' A' ' 42' ' ' PHE . . . 126.94 0.53 7.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.47 1.107 . . . . 1.8999999999999999 111.016 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -42.5 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 4.79 109.266 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -125.01 85.48 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 2.1400000000000001 108.347 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.61 ' CE2' ' OD1' ' A' ' 43' ' ' ASP . 3.6 m-85 -67.73 64.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 3.1299999999999999 111.007 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 2.25 108.243 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.276 -0.639 . . . . 2.27 109.276 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m -51.56 142.4 14.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 2.0800000000000001 110.405 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CB ' ' CD1' ' A' ' 16' ' ' TYR . 30.3 m-85 -111.93 114.54 27.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 2.4199999999999999 110.979 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.726 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.8 OUTLIER -89.54 146.32 24.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 2.4399999999999999 109.313 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.97 -116.64 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.72999999999999998 110.971 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -148.93 163.82 36.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 2.73 109.316 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' ALA . 12.2 p -134.25 158.59 43.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 1.0900000000000001 108.279 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.511 ' O ' ' N ' ' A' ' 12' ' ' ASN . 8.3 m-85 -124.99 131.21 53.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 2.5600000000000001 110.991 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -71.0 -51.28 26.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 3.3900000000000001 109.297 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 9.7 ttpt -51.3 -54.18 28.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 4.1600000000000001 109.365 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 4.1 m-20 -81.01 -11.53 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 2.4500000000000002 109.317 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.521 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.7 t-20 40.85 68.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 2.3999999999999999 109.261 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.479 HG23 ' CE ' ' A' ' 27' ' ' LYS . 2.4 pp -152.02 170.87 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 2.1099999999999999 109.3 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -122.3 116.37 23.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 1.3500000000000001 108.3 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -100.95 155.54 17.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 4.0199999999999996 109.344 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.63 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 47.8 p90 -172.13 166.09 6.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 1.8500000000000001 111.06 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -76.3 124.04 26.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 3.6000000000000001 109.321 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 150.41 25.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 2.6099999999999999 109.278 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -44.1 -37.45 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 4.7999999999999998 110.3 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.56 -51.16 30.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 3.4300000000000002 110.023 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 22' ' ' LYS . . . 154.47 -21.33 0.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 3.7999999999999998 110.98 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -60.99 -125.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 7.3499999999999996 109.297 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 m -157.62 138.63 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 7.5 110.403 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.58 ' O ' ' CE2' ' A' ' 16' ' ' TYR . . . -134.46 129.44 35.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 4.1500000000000004 109.316 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.64 146.97 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 2.8300000000000001 109.267 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 42' ' ' PHE . 49.6 t -128.32 102.04 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.96 108.275 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' CE ' HG23 ' A' ' 13' ' ' ILE . 21.4 mmmt -39.9 142.85 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 5.6200000000000001 109.251 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 36.8 m -96.03 104.19 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.3899999999999999 108.322 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.586 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 2.8 p90 -107.6 35.62 3.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 4.3499999999999996 110.982 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.576 HG23 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER 175.28 146.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 3.5899999999999999 109.348 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 2.0 tmtt? 36.5 72.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 6.7400000000000002 109.27 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -37.53 148.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 4.2000000000000002 109.314 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -47.48 143.98 5.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 1.27 108.308 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.0 Cg_endo -75.02 -41.49 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.78000000000000003 110.937 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -174.46 139.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 6.5300000000000002 110.311 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.5 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.64 133.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 3.0499999999999998 109.286 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.34 -23.95 31.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.88 110.961 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -45.68 119.62 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 1.45 109.318 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.61 148.93 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 3.1600000000000001 109.297 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.454 ' SG ' ' HA ' ' A' ' 51' ' ' CYS . 6.2 t -163.31 162.27 25.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 2.2200000000000002 108.276 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 3.8 mp0 -124.98 143.7 50.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 3.04 110.29 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.63 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 17.3 t80 -107.22 100.4 9.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 2.02 110.981 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.602 ' OD2' ' CE2' ' A' ' 45' ' ' TYR . 5.1 t70 -62.63 121.19 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 2.8799999999999999 109.296 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 p -88.08 8.06 28.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 2.1899999999999999 109.988 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -98.42 -16.74 19.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 6.5800000000000001 111.034 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.15 -47.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 4.96 109.267 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.485 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 98.94 21.73 15.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 1.6100000000000001 110.992 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' CD ' ' OH ' ' A' ' 29' ' ' TYR . 9.7 mtmt -62.69 -110.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 6.2800000000000002 109.267 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER 163.78 80.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 2.8399999999999999 108.267 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -65.33 70.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 2.6899999999999999 111.008 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 3.1 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 3.3799999999999999 108.299 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.429 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.28 -0.637 . . . . 1.99 109.28 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.77 126.87 35.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 1.5 110.418 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.547 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 2.0 m-30 -96.37 116.2 28.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 2.8999999999999999 110.991 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.63 162.01 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 2.0800000000000001 109.298 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.2 -139.28 4.3 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.42999999999999999 111.033 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' LYS . 48.1 mttm -136.72 155.11 50.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 3.5499999999999998 109.33 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 1.3 p -127.2 159.21 35.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.05 108.292 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.573 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 7.0 m-85 -122.51 138.37 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 2.3900000000000001 110.977 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.1 ptmt -82.27 -46.03 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 2.8999999999999999 109.292 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -59.7 -22.3 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 3.8300000000000001 109.268 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' ASN . 1.9 m-20 -115.97 -8.8 11.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 2.5299999999999998 109.31 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 8' ' ' TYR . 9.6 t-20 38.26 64.76 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 2.2599999999999998 109.362 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.497 HD12 ' CD1' ' A' ' 8' ' ' TYR . 2.6 pp -139.21 -178.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 2.1600000000000001 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -133.65 103.51 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 1.8600000000000001 108.296 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -94.79 140.39 29.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 4.0099999999999998 109.334 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.738 ' CE1' ' CG2' ' A' ' 23' ' ' THR . 0.0 OUTLIER -164.12 -169.34 1.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 4.25 110.993 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.9 mttt -122.13 94.01 4.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 3.6200000000000001 109.337 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.483 ' CB ' ' HB ' ' A' ' 23' ' ' THR . . . -36.37 153.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 1.8200000000000001 109.279 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.543 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -57.77 -21.42 41.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 4.3499999999999996 110.312 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.26 -6.98 12.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 2.98 110.002 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.32 11.85 82.86 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.451 1.094 . . . . 2.4900000000000002 110.991 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -81.99 -57.65 3.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 5.96 109.298 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.738 ' CG2' ' CE1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -59.35 178.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 6.0899999999999999 110.369 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.581 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 167.27 124.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 3.9900000000000002 109.273 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.52 ' CG1' ' CG ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER 61.8 129.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 3.0099999999999998 109.304 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 t -147.14 105.21 3.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 1.3700000000000001 108.323 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -36.06 139.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 6.3099999999999996 109.337 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 m -90.6 117.33 29.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.3600000000000001 108.28 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.491 ' CE1' ' HD3' ' A' ' 48' ' ' LYS . 8.4 p90 -103.66 9.27 37.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 4.9699999999999998 111.0 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.444 ' CG2' ' N ' ' A' ' 31' ' ' LYS . 8.1 m -125.79 -143.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 5.1600000000000001 109.272 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 2.4 mtpt -48.39 96.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 4.3899999999999997 109.318 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.2 ttpt -37.41 153.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 3.7000000000000002 109.293 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.457 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 8.5 t -64.94 140.5 98.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 1.3500000000000001 108.269 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.05 -36.37 2.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.68999999999999995 110.948 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 2.6 ptp180 -178.18 152.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 6.8499999999999996 110.263 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -48.87 129.0 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 2.9100000000000001 109.294 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.52 -26.61 23.55 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.528 1.143 . . . . 0.52000000000000002 110.957 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.484 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.31 122.01 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 1.8600000000000001 109.287 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -63.94 150.15 45.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 3.27 109.288 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -156.18 177.84 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 2.4300000000000002 108.304 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.2 pm0 -153.43 146.89 24.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 3.6699999999999999 110.283 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.4 ' HD2' ' CD2' ' A' ' 3' ' ' TYR . 30.9 t80 -113.58 110.63 20.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.8200000000000001 110.984 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.561 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 12.0 t0 -77.12 128.76 35.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 3.5800000000000001 109.269 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 p -92.3 -8.16 45.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.8400000000000001 110.037 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.561 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -58.52 -17.55 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 7.5599999999999996 111.005 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.497 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 17.9 mtpt -142.21 -61.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 4.6799999999999997 109.331 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.79 42.93 0.25 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.519 1.137 . . . . 1.8600000000000001 110.963 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -121.67 148.34 44.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 7.3499999999999996 109.296 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -86.23 105.32 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 2.2999999999999998 108.268 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -81.1 67.49 7.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 2.1200000000000001 111.061 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 2.1200000000000001 108.282 -179.934 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.596 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 2.3500000000000001 109.328 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.61 150.5 43.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 1.6499999999999999 110.408 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 56.0 m-85 -120.21 123.71 43.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 2.52 110.996 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.603 ' N ' HD21 ' A' ' 4' ' ' ASN . 1.1 m-80 -84.66 144.98 28.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 2.25 109.292 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.37 -137.98 2.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.51000000000000001 111.023 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -145.83 159.29 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 4.0199999999999996 109.313 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.405 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 1.6 p -122.76 166.37 15.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 1.0800000000000001 108.305 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.59 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 6.3 m-85 -127.42 136.75 52.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 2.5499999999999998 110.968 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' CD ' ' HA ' ' A' ' 35' ' ' ARG . 7.6 ptmt -85.16 -48.83 8.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 3.7999999999999998 109.284 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -54.37 -28.33 42.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 4.4400000000000004 109.319 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 15.7 m-20 -110.09 -15.09 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 2.6200000000000001 109.293 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 3.4 t30 49.52 60.53 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 3.1400000000000001 109.302 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.47 HD11 ' CG2' ' A' ' 25' ' ' ILE . 2.6 pp -144.72 166.28 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 1.95 109.336 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.421 ' CB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -122.46 118.11 27.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 1.3999999999999999 108.285 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 8' ' ' TYR . 5.3 mtpm? -104.47 139.19 39.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 5.04 109.3 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.808 ' CE1' ' CD2' ' A' ' 42' ' ' PHE . 47.5 p90 -152.84 161.3 42.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.9299999999999999 110.975 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 9.2 mtpp -75.77 135.83 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 4.3099999999999996 109.301 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -94.59 41.21 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 3.02 109.329 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 4.3 tm0? 67.98 -58.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 6.3300000000000001 110.284 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -65.84 -13.72 60.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 3.2999999999999998 109.976 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 23' ' ' THR . . . 97.13 -17.24 59.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 2.8300000000000001 111.039 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 23' ' ' THR . 3.8 mmtm -40.52 -29.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 8.5399999999999991 109.271 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER 47.06 101.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 6.2999999999999998 110.372 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.72 176.72 5.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 3.8100000000000001 109.3 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.47 ' CG2' HD11 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -110.71 156.78 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 3.8599999999999999 109.286 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.99 101.85 3.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.8 108.29 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.9 145.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 3.98 109.308 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 88.5 m -89.47 85.62 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.53 108.343 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.63 ' CD2' ' O ' ' A' ' 29' ' ' TYR . 29.2 p90 -107.04 46.2 0.94 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 6.0300000000000002 110.985 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.478 ' CG1' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -165.38 -66.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 5.0999999999999996 109.28 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 2.1 mptm? -115.53 105.98 13.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 4.7999999999999998 109.311 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 12.0 ttpt -50.94 152.46 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 4.1200000000000001 109.266 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 46.7 t -80.55 134.34 54.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 1.2 108.299 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.492 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -35.15 3.3 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.85999999999999999 111.029 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.468 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 5.0 ptm180 172.79 144.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 6.2000000000000002 110.293 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.59 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.5 m-20 -43.69 136.69 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 5.0499999999999998 109.308 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.05 -17.3 59.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.84999999999999998 111.005 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.492 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -55.08 118.18 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 1.45 109.31 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 9.5 tttt -62.08 148.85 42.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 3.9199999999999999 109.267 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 1.8 t -160.78 160.73 31.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 2.2599999999999998 108.265 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -121.23 118.91 30.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 3.54 110.283 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.808 ' CD2' ' CE1' ' A' ' 16' ' ' TYR . 9.0 t80 -84.75 107.34 16.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 1.3799999999999999 110.992 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.619 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 4.4 t0 -68.31 132.03 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 2.6800000000000002 109.343 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -93.02 -13.28 28.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 2.3300000000000001 109.993 -179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.619 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -65.21 -9.34 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 8.1799999999999997 110.988 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.516 ' HE2' ' CZ ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -159.32 -44.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 4.6299999999999999 109.328 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 110.87 21.17 6.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 1.3999999999999999 111.0 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' HD3' ' CG1' ' A' ' 30' ' ' VAL . 1.3 tttt -66.36 -167.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 6.0099999999999998 109.245 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -140.59 90.45 2.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 2.75 108.283 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -76.72 60.9 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 2.3399999999999999 110.988 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.9 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 1.8 108.272 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.546 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.341 -0.614 . . . . 2.2799999999999998 109.341 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 141.24 48.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 1.52 110.38 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.546 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 10.7 m-85 -109.17 117.73 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 2.6499999999999999 110.975 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -87.12 149.92 24.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 2.2200000000000002 109.295 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -178.16 -134.04 2.0 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.56999999999999995 110.991 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -141.84 161.75 37.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 3.4700000000000002 109.289 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.414 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.8 p -132.47 155.53 48.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.96999999999999997 108.286 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 12' ' ' ASN . 15.5 m-30 -114.62 135.22 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 3.79 110.989 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.7 ptmt -81.56 -46.27 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 2.75 109.319 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -56.96 -29.96 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 5.1100000000000003 109.308 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 9.5 m-20 -107.52 -11.72 15.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 2.9399999999999999 109.281 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 8' ' ' TYR . 2.8 t-20 46.2 59.43 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 2.29 109.283 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.8 pp -144.63 161.14 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 2.1000000000000001 109.311 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.52 132.27 55.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.28 108.289 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.81 173.44 9.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 5.75 109.279 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.413 ' CD1' ' HB3' ' A' ' 3' ' ' TYR . 21.1 p90 176.46 -169.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 1.8700000000000001 110.974 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.47 120.82 41.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 5.8300000000000001 109.319 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.53 172.58 9.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 2.0099999999999998 109.281 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -55.59 -39.38 70.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 4.5099999999999998 110.297 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -44.95 74.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 3.25 109.999 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.87 -11.26 7.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 4.1100000000000003 110.993 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 23' ' ' THR . 12.9 tttt -73.28 -114.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 8.75 109.29 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 22' ' ' LYS . 12.1 m -161.23 150.96 16.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 7.0499999999999998 110.423 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.3 130.8 19.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 4.0999999999999996 109.244 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.3 mt -105.65 147.78 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 2.4900000000000002 109.297 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -142.74 108.75 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.6399999999999999 108.291 179.97 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -38.1 144.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 5.96 109.32 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.426 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 14.3 m -97.61 126.12 42.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.3700000000000001 108.354 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.608 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -82.65 -143.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 7.6200000000000001 110.984 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.608 ' N ' ' CG ' ' A' ' 29' ' ' TYR . 77.2 t -31.98 -85.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 5.29 109.253 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.3 93.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 5.29 109.28 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' VAL . 14.7 ttpt -74.5 162.72 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 3.6000000000000001 109.321 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 2.4 t -74.3 141.86 77.76 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 1.25 108.319 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -37.87 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.519 1.799 . . . . 0.96999999999999997 110.974 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -178.56 147.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 5.4800000000000004 110.305 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -44.85 127.98 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 2.79 109.312 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.67 -18.25 53.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 1.1000000000000001 111.011 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -49.57 119.36 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 1.75 109.309 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 15.4 ttmt -63.93 147.95 50.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 4.1100000000000003 109.314 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.428 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 8.7 p -162.59 167.31 23.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 1.9399999999999999 108.239 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -133.21 123.79 26.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 3.8799999999999999 110.307 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE1' ' HA2' ' A' ' 47' ' ' GLY . 9.4 t80 -88.89 115.99 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 1.23 110.967 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.49 ' HB3' ' CD2' ' A' ' 45' ' ' TYR . 1.6 m-20 -74.52 117.54 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 3.0099999999999998 109.334 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.91 2.0 21.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 3.6200000000000001 109.973 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.49 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 3.4 m-85 -75.12 -45.94 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 5.6799999999999997 110.995 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.52 -43.03 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 4.29 109.292 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 115.61 18.65 6.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 1.5900000000000001 110.979 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -71.73 174.24 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 5.21 109.289 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.427 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -122.16 121.04 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 3.54 108.293 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -108.07 77.49 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 2.6800000000000002 110.994 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.427 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.97 108.318 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 2.0699999999999998 109.312 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 41' ' ' GLU . 1.2 m -71.53 141.84 50.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.6200000000000001 110.394 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.45 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 67.4 m-85 -111.25 117.6 33.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 2.3399999999999999 111.001 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.479 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -79.83 141.83 35.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 2.1000000000000001 109.357 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.95 -155.87 9.71 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.80000000000000004 110.985 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 12.3 mttt -128.39 166.92 17.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 2.7400000000000002 109.292 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -132.62 172.39 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.98999999999999999 108.294 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.559 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 7.8 m-85 -137.78 135.92 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 2.4900000000000002 110.99 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -58.46 -71.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 4.3700000000000001 109.348 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' LYS . 2.6 ttmm -39.35 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 4.46 109.317 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.432 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -52.5 -21.4 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 2.4199999999999999 109.285 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.559 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 10.3 t-20 40.35 63.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 2.23 109.359 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.8 pp -141.49 -174.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 2.04 109.286 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' CYS . 2.6 t -135.76 107.72 7.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.24 108.288 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HG3' ' CD1' ' A' ' 13' ' ' ILE . 48.2 mttt -89.2 130.13 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 4.0999999999999996 109.293 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.758 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 4.9 p90 -149.62 162.91 39.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.76 111.017 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.404 ' HA ' ' OG1' ' A' ' 23' ' ' THR . 33.4 mmtt -70.36 153.35 43.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 3.4500000000000002 109.318 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -113.08 40.43 2.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 3.21 109.286 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.418 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER 67.98 -58.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 6.46 110.262 179.94 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -74.56 -2.94 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 3.9199999999999999 109.967 -179.976 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 23' ' ' THR . . . 89.83 -11.21 71.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 2.9199999999999999 110.987 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 23' ' ' THR . 1.7 mmmp? -41.62 -28.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.746 . . . . 6.0700000000000003 109.283 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.461 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER 44.89 99.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 7.4299999999999997 110.376 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.62 -178.56 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 3.4100000000000001 109.279 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.469 ' CG2' HD11 ' A' ' 13' ' ' ILE . 5.1 mt -108.33 148.01 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 2.98 109.265 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -133.5 102.56 5.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.99 108.304 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -39.74 146.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 6.5300000000000002 109.301 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 7.6 m -80.05 -177.74 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 1.76 108.268 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.568 ' CD2' HG22 ' A' ' 30' ' ' VAL . 18.6 t80 179.37 155.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 4.8700000000000001 111.003 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.568 HG22 ' CD2' ' A' ' 29' ' ' TYR . 17.4 t 66.13 -74.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 4.3200000000000003 109.315 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' TYR . 7.1 mmtt -114.54 90.25 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 5.9199999999999999 109.324 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -42.71 163.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 4.79 109.269 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 39.3 t -58.43 136.34 85.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 1.26 108.346 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.96 -34.27 4.0 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.72999999999999998 111.02 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 176.06 144.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 5.79 110.276 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.28 134.33 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.42 1.075 . . . . 2.9399999999999999 109.26 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 94.98 -26.8 17.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.59999999999999998 111.011 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -39.99 121.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 1.8799999999999999 109.324 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 20.1 ttpt -69.21 147.74 50.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 3.0699999999999998 109.298 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 17.0 t -159.95 162.0 34.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 2.3799999999999999 108.27 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -128.61 131.67 48.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 3.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.758 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 51.8 t80 -93.87 105.71 17.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 1.1299999999999999 111.031 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.444 ' HB2' ' CD2' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -67.09 119.38 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 4.1799999999999997 109.296 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.59 2.61 24.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.8700000000000001 109.977 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 43' ' ' ASP . 2.3 m-85 -74.64 -37.71 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 5.9100000000000001 110.998 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -129.59 -50.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 3.8599999999999999 109.296 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.523 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 118.53 35.21 1.01 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 1.1299999999999999 111.002 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -94.42 -172.21 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 4.1399999999999997 109.279 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.88 104.29 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 2.8900000000000001 108.319 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -84.25 46.7 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 3.8300000000000001 111.028 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.5 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 1.98 108.282 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.264 -0.643 . . . . 1.8700000000000001 109.264 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.66 122.16 20.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.8100000000000001 110.375 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.449 ' CD2' ' HA ' ' A' ' 18' ' ' ALA . 6.5 m-85 -88.17 118.0 27.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 2.5099999999999998 111.013 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.649 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.9 OUTLIER -88.7 160.49 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 2.29 109.281 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.98 -135.89 2.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.45000000000000001 111.005 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -152.58 148.43 27.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 2.6899999999999999 109.305 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.496 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 13.0 t -123.46 154.71 38.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 3.25 108.324 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.837 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.6 m-30 -117.42 123.89 47.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 3.6800000000000002 110.998 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' N ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -46.36 -60.86 2.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 3.0600000000000001 109.299 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -45.11 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 4.6299999999999999 109.299 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.514 ' O ' ' C ' ' A' ' 12' ' ' ASN . 27.2 m-20 -62.77 -13.2 30.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 2.9900000000000002 109.321 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.837 ' N ' ' O ' ' A' ' 8' ' ' TYR . 46.7 t30 31.93 61.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 2.9900000000000002 109.292 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.494 ' CD1' HG22 ' A' ' 25' ' ' ILE . 1.8 pp -138.92 145.16 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.6499999999999999 109.315 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 0.5 OUTLIER -82.2 94.04 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.9399999999999999 108.321 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HG2' ' CG1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -88.77 108.05 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 4.8499999999999996 109.322 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.631 ' CE2' HG23 ' A' ' 23' ' ' THR . 55.4 p90 -153.45 -179.61 7.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.5700000000000001 111.049 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 1.2 mmpt? -77.0 -128.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 3.8999999999999999 109.319 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 17' ' ' LYS . . . 164.45 43.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 2.7200000000000002 109.333 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 12.2 tt0 67.32 -59.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 4.0800000000000001 110.299 -179.93 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -102.74 12.94 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 3.0 109.958 -179.951 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.61 10.72 38.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 2.6400000000000001 110.982 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -58.67 -77.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 6.7999999999999998 109.33 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.631 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -52.94 177.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 6.3200000000000003 110.406 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.549 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 171.45 115.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 3.7400000000000002 109.302 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.494 HG22 ' CD1' ' A' ' 13' ' ' ILE . 10.1 mt 72.18 138.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 2.6099999999999999 109.266 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' LYS . 48.8 t -159.09 112.07 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 1.52 108.283 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 3.0 mtpt -37.06 141.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 5.6100000000000003 109.315 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.09 89.84 8.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.5800000000000001 108.292 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 5.3 p90 -59.64 130.85 48.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 5.2000000000000002 111.005 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 6.3 t 59.74 -84.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 5.5199999999999996 109.268 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -42.96 164.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 5.4299999999999997 109.313 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -139.2 150.06 45.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 3.1699999999999999 109.332 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -79.07 140.72 57.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 1.6000000000000001 108.288 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.491 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.01 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 1.0600000000000001 110.997 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -167.51 142.68 3.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 4.5300000000000002 110.265 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.74 139.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 3.6899999999999999 109.297 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 95.96 -25.59 24.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.65000000000000002 111.043 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.491 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -38.64 115.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 1.3700000000000001 109.279 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.83 148.86 37.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 3.0899999999999999 109.309 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.48 157.77 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 2.48 108.291 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.59 150.67 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 4.79 110.288 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.604 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 64.6 t80 -117.48 107.73 14.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 1.1799999999999999 110.993 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.606 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 3.4 t70 -68.85 122.86 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 3.1899999999999999 109.307 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -91.98 17.33 9.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 1.77 110.01 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.632 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -107.0 -17.28 14.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 6.6100000000000003 111.002 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -123.24 -56.66 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 5.5099999999999998 109.326 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.91 28.71 2.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.446 1.091 . . . . 1.6100000000000001 111.03 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.0 mtmm -109.7 171.06 7.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 4.25 109.312 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.64 99.09 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 2.4500000000000002 108.329 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -73.98 82.89 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 2.0099999999999998 110.98 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.97 108.301 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.285 -0.635 . . . . 1.72 109.285 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 124.23 43.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 1.5800000000000001 110.348 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.607 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -93.06 124.72 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 2.8500000000000001 111.007 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.72 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.8 OUTLIER -89.66 164.41 14.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 2.1499999999999999 109.297 179.966 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.83 -141.15 5.49 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.45000000000000001 111.03 179.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 18.3 mttt -142.23 159.98 41.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 2.6899999999999999 109.258 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -132.15 153.98 49.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 1.1200000000000001 108.279 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 18.2 m-30 -114.49 153.6 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 3.23 110.999 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -93.48 -48.04 6.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 3.02 109.304 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -55.51 -26.13 41.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 4.04 109.234 -179.956 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.91 -12.57 12.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 2.4199999999999999 109.296 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.561 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 34.5 t30 42.81 60.41 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 2.52 109.285 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.7 pp -135.85 -179.4 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 2.1600000000000001 109.299 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 6.9 t -134.65 104.62 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.3100000000000001 108.272 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 8' ' ' TYR . 10.6 ptmt -97.4 128.47 44.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 4.3700000000000001 109.298 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.578 ' CE2' HG23 ' A' ' 23' ' ' THR . 1.4 p90 -156.59 174.64 15.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.8899999999999999 110.992 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.05 99.73 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 4.7800000000000002 109.282 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.489 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . . . -47.11 165.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 2.2200000000000002 109.355 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -58.44 -35.45 72.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 4.3899999999999997 110.313 -179.999 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.36 0.52 15.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 2.9900000000000002 109.993 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.62 2.07 74.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.135 . . . . 2.8999999999999999 110.978 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -38.65 91.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 6.3600000000000003 109.327 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.578 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -79.88 -174.53 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 5.8600000000000003 110.427 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.568 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 162.25 117.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 3.7000000000000002 109.309 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.515 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 2.7 mt 61.11 138.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 3.0499999999999998 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' LYS . 27.4 t -156.08 112.45 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.45 108.287 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 26' ' ' CYS . 27.7 mttt -33.14 139.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 4.4500000000000002 109.284 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -67.08 -165.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.95 108.281 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -126.23 -159.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 5.4299999999999997 110.98 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -39.45 -75.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 4.9800000000000004 109.305 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -62.03 91.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 4.1600000000000001 109.263 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HB3' ' OD1' ' A' ' 12' ' ' ASN . 14.7 mtmt -48.62 173.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 4.3700000000000001 109.299 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.467 ' SG ' ' HD2' ' A' ' 34' ' ' PRO . 0.6 OUTLIER -74.78 143.26 78.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.3799999999999999 108.29 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.467 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.2 Cg_endo -75.02 -44.03 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.95999999999999996 110.997 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.9 OUTLIER -170.18 137.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 6.2999999999999998 110.303 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.529 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.94 131.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 3.0499999999999998 109.296 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 107.17 -26.83 17.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.81999999999999995 111.005 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -38.3 120.32 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 1.73 109.346 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 151.05 47.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 4.04 109.335 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.419 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.3 p -155.25 174.41 15.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 2.2400000000000002 108.298 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.2 pm0 -146.61 133.9 20.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 3.5 110.335 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.45 ' CD2' ' OH ' ' A' ' 16' ' ' TYR . 55.3 t80 -94.93 107.54 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.4199999999999999 110.981 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.6 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 4.2 t0 -78.32 136.44 37.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 3.6600000000000001 109.347 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 p -98.5 -10.34 23.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 2.1299999999999999 109.958 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.6 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -65.86 -10.92 42.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 7.4800000000000004 111.025 179.983 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 22.0 mttt -149.41 -55.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 4.1799999999999997 109.334 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.87 34.05 1.44 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 1.3200000000000001 111.043 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.443 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -86.94 -157.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 4.4800000000000004 109.291 -179.948 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -152.91 85.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 2.1800000000000002 108.284 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -67.6 82.84 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 2.0499999999999998 111.027 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.1 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 2.0099999999999998 108.284 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.289 -0.634 . . . . 1.8 109.289 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.28 138.8 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.49 110.398 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 9.8 m-85 -110.61 117.38 33.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 2.5600000000000001 111.0 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.419 ' N ' HD21 ' A' ' 4' ' ' ASN . 2.1 m-80 -88.94 157.43 18.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 2.5099999999999998 109.309 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.78 -129.14 1.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.51000000000000001 110.976 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 15' ' ' LYS . 13.5 mttt -142.57 168.64 19.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 0.788 . . . . 2.9199999999999999 109.316 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 38' ' ' ALA . 1.6 p -140.84 155.01 46.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 1.03 108.299 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.621 ' CE2' ' HD2' ' A' ' 15' ' ' LYS . 38.0 m-85 -117.39 125.95 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 3.2200000000000002 111.017 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -65.18 -48.64 72.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 3.3199999999999998 109.349 179.949 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 2.9 tttm -51.99 -60.0 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 4.2699999999999996 109.308 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 12' ' ' ASN . 1.7 m-20 -78.97 -3.85 47.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 3.0699999999999998 109.322 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.592 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.0 t-20 36.83 58.96 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 2.25 109.319 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.483 ' CG2' ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -136.79 179.29 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 2.0699999999999998 109.35 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.84 114.22 14.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.28 108.272 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.621 ' HD2' ' CE2' ' A' ' 8' ' ' TYR . 6.7 ptmm? -95.54 124.03 39.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 5.6399999999999997 109.306 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 24' ' ' ALA . 18.2 p90 -150.52 173.26 14.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.76 110.978 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.604 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 4.6 mttt -72.23 163.26 28.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 4.2800000000000002 109.309 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -112.46 37.04 3.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 3.6200000000000001 109.277 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.409 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER 67.18 -59.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 6.3799999999999999 110.294 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -45.66 -32.97 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 2.96 109.976 179.963 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.34 -11.31 9.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 4.0599999999999996 111.032 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' A' ' 23' ' ' THR . 27.8 tttm -73.81 -113.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 8.4199999999999999 109.277 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 22' ' ' LYS . 89.5 m -158.26 165.74 34.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 8.0099999999999998 110.441 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.604 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . -166.79 126.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 3.8100000000000001 109.314 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 mt -104.23 136.89 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 2.7999999999999998 109.305 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' LYS . 26.3 p -132.66 109.23 9.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 2.7400000000000002 108.338 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HA ' ' CG2' ' A' ' 13' ' ' ILE . 23.8 mtmt -39.11 154.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 4.1900000000000004 109.276 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.062 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.7 m -95.65 151.38 19.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.1599999999999999 108.289 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -86.64 -166.29 1.52 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 4.8899999999999997 110.986 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -36.47 -54.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 5.8700000000000001 109.311 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.35 79.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 5.2400000000000002 109.331 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' VAL . 18.6 ttpt -54.52 155.19 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 3.96 109.342 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 8' ' ' TYR . 1.7 m -66.56 150.04 97.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 2.8700000000000001 108.298 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.05 -46.19 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.91000000000000003 110.954 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.478 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.7 ptt85 -172.95 138.07 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 4.6699999999999999 110.277 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -33.35 135.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 3.04 109.343 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.35 -25.29 25.12 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.76000000000000001 111.01 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -40.67 121.62 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 0.738 . . . . 1.77 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -66.83 146.35 54.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 3.3500000000000001 109.306 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 1.3 p -153.49 179.37 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 2.21 108.288 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.0 pm0 -147.8 139.86 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 3.5099999999999998 110.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CD1' ' CD2' ' A' ' 3' ' ' TYR . 33.4 t80 -103.57 108.24 19.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 1.54 111.002 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.416 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 4.4 t0 -74.71 132.45 41.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 2.7999999999999998 109.298 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 p -95.44 -1.03 51.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 1.9399999999999999 109.992 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -72.09 -13.67 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 7.6600000000000001 111.027 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 21.4 mttt -147.9 -62.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 3.8999999999999999 109.293 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.59 41.21 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 1.45 110.999 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -161.48 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 5.29 109.348 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' CYS . 12.5 t -140.56 90.3 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 2.4199999999999999 108.29 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.07 59.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.73 110.992 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 1.062 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 4.4 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 2.23 108.296 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 2.0299999999999998 109.3 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.69 145.56 31.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 2.0299999999999998 110.413 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 19' ' ' GLN . 10.9 m-85 -117.99 116.31 26.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 2.2999999999999998 110.995 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.01 155.94 20.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.97 109.325 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.04 -136.89 2.26 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.51000000000000001 111.016 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -144.55 158.98 43.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.787 . . . . 2.6800000000000002 109.283 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.5 p -131.94 171.87 13.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.04 108.329 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.573 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 77.9 m-85 -139.05 134.85 33.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 3.29 110.976 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.4 mttt -56.58 -72.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 4.3600000000000003 109.294 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -38.4 -77.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 4.7699999999999996 109.306 179.97 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -51.34 -22.18 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 2.3799999999999999 109.316 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 8.4 t-20 41.27 61.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 2.2599999999999998 109.305 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.504 ' O ' ' CB ' ' A' ' 7' ' ' CYS . 2.0 pp -138.9 177.95 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 1.96 109.285 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.316 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 24.3 t -129.84 99.72 5.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 1.1599999999999999 108.249 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 25' ' ' ILE . 0.4 OUTLIER -93.52 137.27 32.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 3.6899999999999999 109.291 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.6 ' CE2' HG23 ' A' ' 23' ' ' THR . 3.0 p90 -165.51 -176.58 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 1.5900000000000001 110.984 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' NZ ' ' HA3' ' A' ' 21' ' ' GLY . 1.8 tmtt? -108.59 111.14 22.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 4.6900000000000004 109.322 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.443 ' HB1' ' CG2' ' A' ' 23' ' ' THR . . . -61.96 166.17 4.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 2.1899999999999999 109.259 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 2.4 tm0? -56.09 -36.46 68.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 4.8600000000000003 110.346 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.49 2.28 15.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 3.0099999999999998 109.984 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.405 ' HA3' ' NZ ' ' A' ' 17' ' ' LYS . . . 76.19 -0.75 62.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 2.8999999999999999 111.019 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -39.79 82.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 0.781 . . . . 6.4800000000000004 109.286 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.6 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -80.26 -177.96 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 5.54 110.363 -179.944 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.551 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 163.16 114.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 3.6699999999999999 109.297 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.558 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 4.3 mt 61.19 139.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 3.2000000000000002 109.315 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 27' ' ' LYS . 35.2 t -157.62 115.31 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 1.71 108.296 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 26' ' ' CYS . 5.6 mtpt -35.74 136.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 4.75 109.294 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.41 ' SG ' ' C ' ' A' ' 13' ' ' ILE . 58.5 m -89.34 131.22 35.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.4199999999999999 108.306 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.51 ' CZ ' ' HG2' ' A' ' 48' ' ' LYS . 2.9 p90 -114.33 133.55 55.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 4.5099999999999998 110.993 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 32' ' ' LYS . 3.2 t 64.09 -78.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 4.6699999999999999 109.293 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -68.79 65.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 5.3499999999999996 109.299 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -50.06 164.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 4.2599999999999998 109.29 -179.978 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.494 ' SG ' ' CA ' ' A' ' 8' ' ' TYR . 36.2 t -69.7 135.86 88.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.27 108.298 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.477 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -35.12 3.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 1.1200000000000001 111.007 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 10.2 ptt180 179.32 145.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 5.4699999999999998 110.276 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.521 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.73 135.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 2.9399999999999999 109.273 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 88.62 -23.84 14.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.67000000000000004 111.004 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.477 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -39.29 121.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.776 . . . . 1.4099999999999999 109.318 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 147.82 49.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 2.9399999999999999 109.323 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 1.219 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 40.1 t -153.66 161.98 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 2.2400000000000002 108.313 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.49 135.3 46.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 3.1800000000000002 110.278 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.473 ' CD2' ' OH ' ' A' ' 16' ' ' TYR . 29.2 t80 -98.86 110.95 23.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 1.3600000000000001 110.979 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.496 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 2.3 t0 -77.0 134.03 38.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 2.8999999999999999 109.297 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.5 p -95.4 -11.72 27.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.8400000000000001 109.972 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -63.85 -10.81 22.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 7.7400000000000002 110.977 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 11.1 mttt -147.4 -56.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 3.9199999999999999 109.279 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.78 42.39 0.8 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 1.3100000000000001 111.011 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -104.63 -161.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 3.9199999999999999 109.271 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.104 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -139.24 94.83 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 2.1000000000000001 108.302 179.947 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 10.9 m-85 -77.57 52.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.76 110.978 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 1.316 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 82.4 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 2.8999999999999999 108.315 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.265 -0.643 . . . . 1.74 109.265 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -82.99 146.88 28.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 1.8100000000000001 110.416 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 1.8 m-30 -106.51 177.41 4.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 2.6800000000000002 110.997 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.77 151.09 44.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 2.3399999999999999 109.274 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.28 -143.33 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 0.40999999999999998 110.99 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' LYS . 48.0 mttt -143.88 146.25 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 2.75 109.33 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 29.9 p -117.23 153.27 33.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 1.1299999999999999 108.304 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 8.1 m-30 -113.83 139.11 49.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 3.6499999999999999 110.986 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -78.35 -47.32 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 3.3799999999999999 109.306 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -52.84 -39.98 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 3.77 109.322 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.437 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 87.6 m-20 -101.91 -5.54 24.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 2.73 109.336 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 22.2 t30 38.96 51.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 2.5800000000000001 109.308 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.467 ' CD1' HG21 ' A' ' 25' ' ' ILE . 2.8 pp -135.36 154.38 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 1.9399999999999999 109.315 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 9.0 t -102.2 108.64 20.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.29 108.308 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -94.69 129.85 41.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 4.3399999999999999 109.326 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.62 ' CE2' HG23 ' A' ' 23' ' ' THR . 2.1 p90 -164.96 158.49 17.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 1.76 110.995 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.573 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 24.4 mmtt -56.59 -103.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 4.8399999999999999 109.325 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 17' ' ' LYS . . . 156.81 159.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 2.5899999999999999 109.258 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 8.3 tt0 -53.6 -19.2 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 5.5300000000000002 110.323 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.48 17.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 2.6800000000000002 110.024 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.52 24.38 61.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 2.48 110.976 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -90.18 -43.76 10.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 6.0499999999999998 109.288 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.62 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -68.37 -176.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 5.7400000000000002 110.346 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.572 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 169.65 121.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 4.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 8.7 mt 61.21 142.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 2.71 109.282 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' CYS . 35.4 t -157.04 103.97 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 1.3600000000000001 108.279 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' CYS . 19.4 ttpt -36.36 151.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 4.9900000000000002 109.307 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.17 100.54 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.3100000000000001 108.289 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.556 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -92.56 12.39 23.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 4.5899999999999999 111.022 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -114.87 -104.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 5.4100000000000001 109.311 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' LYS . 1.9 ttmt -106.98 124.58 49.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 4.1399999999999997 109.263 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.499 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 11.5 ttpt -39.6 148.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 4.9199999999999999 109.312 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.438 ' N ' ' HG2' ' A' ' 32' ' ' LYS . 3.5 m -70.16 148.09 95.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 2.98 108.308 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.468 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.0 Cg_endo -75.07 -50.4 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.769 . . . . 0.71999999999999997 111.02 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.9 ptt180 -169.25 142.28 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 4.5599999999999996 110.267 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.35 125.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 3.48 109.323 179.935 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.81 -24.1 20.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.56999999999999995 110.975 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -42.61 117.35 1.01 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 0.732 . . . . 1.4099999999999999 109.285 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 4.4 tttt -58.98 149.25 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 3.6499999999999999 109.253 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.426 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 25.1 t -159.38 161.97 35.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 2.1699999999999999 108.331 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 1.3 pm0 -138.51 137.81 37.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 3.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CD1' ' CE2' ' A' ' 3' ' ' TYR . 22.1 t80 -97.78 118.62 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.54 111.023 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.437 ' CG ' ' CE1' ' A' ' 50' ' ' TYR . 1.1 m-20 -84.63 135.28 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 2.8199999999999998 109.305 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.0 p -96.02 11.33 34.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 1.9399999999999999 110.012 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.559 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -84.8 -34.67 22.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 6.29 110.997 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -131.87 -45.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 3.9100000000000001 109.283 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.86 19.04 5.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.98999999999999999 110.974 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -68.78 -167.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 5.1299999999999999 109.303 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.475 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -144.39 89.54 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 2.1299999999999999 108.322 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 36.4 m-85 -66.69 68.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 2.1600000000000001 111.004 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 49' ' ' CYS . 6.9 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.8100000000000001 108.353 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.287 -0.635 . . . . 2.1499999999999999 109.287 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.457 ' CG2' ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -97.02 121.74 39.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 1.8500000000000001 110.439 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 21.1 m-85 -83.7 122.43 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 2.6299999999999999 110.999 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.478 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -84.5 160.01 20.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 2.25 109.307 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.97 -154.78 14.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.73999999999999999 111.004 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 31.2 mttt -138.49 156.96 47.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 3.1899999999999999 109.274 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -127.98 151.87 48.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 1.1399999999999999 108.324 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.568 ' CE2' ' HE3' ' A' ' 15' ' ' LYS . 17.2 m-30 -115.19 146.07 41.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 3.27 110.974 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.477 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -83.99 -45.84 12.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 2.7999999999999998 109.327 179.968 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 1.6 tttt -58.27 -25.37 61.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 5.2599999999999998 109.307 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.437 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 6.2 m-20 -113.71 -11.21 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 3.1099999999999999 109.317 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 4.9 t30 39.39 56.03 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 2.9399999999999999 109.285 -180.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 25' ' ' ILE . 2.9 pp -133.6 172.89 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.95 109.265 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -125.33 104.09 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 1.9399999999999999 108.304 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.568 ' HE3' ' CE2' ' A' ' 8' ' ' TYR . 9.3 ptpt -97.23 136.25 38.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 3.6499999999999999 109.304 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.651 ' CE2' ' CB ' ' A' ' 42' ' ' PHE . 3.7 p90 -171.23 172.25 5.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.6699999999999999 110.964 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 3' ' ' TYR . 9.7 mmmt -96.61 134.32 40.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 4.21 109.264 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.485 ' HB1' ' CB ' ' A' ' 23' ' ' THR . . . -90.83 37.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 2.7400000000000002 109.327 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 3.9 tp-100 67.1 -59.62 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 6.4199999999999999 110.306 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -90.19 6.28 43.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 3.0800000000000001 110.029 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.31 0.22 61.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 3.1600000000000001 110.958 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -52.09 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 8.2699999999999996 109.322 -179.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.587 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -50.38 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 5.9100000000000001 110.36 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.532 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 164.86 120.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 3.3999999999999999 109.281 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.535 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 2.1 mt 61.49 135.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 2.8100000000000001 109.296 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.512 ' O ' ' C ' ' A' ' 27' ' ' LYS . 10.6 t -155.75 111.17 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 1.51 108.275 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 26' ' ' CYS . 13.9 mttt -31.49 143.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 5.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 49.8 m -78.29 84.25 4.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.5700000000000001 108.316 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.603 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 0.8 OUTLIER -59.12 117.6 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 6.21 111.024 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.5 ' CG1' ' C ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 68.62 146.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 4.7800000000000002 109.336 -179.959 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.21 -177.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 5.71 109.267 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.522 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 17.9 ttmt -138.99 146.5 40.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 4.2599999999999998 109.289 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.477 ' HB3' ' CA ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -62.79 143.61 96.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 1.5 108.317 179.981 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.3 Cg_endo -75.0 -45.86 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 1.02 110.989 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER -168.6 139.05 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 5.7999999999999998 110.282 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.489 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.23 125.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 2.6200000000000001 109.305 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 113.13 -24.63 12.37 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.48 1.113 . . . . 0.87 110.964 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.425 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -38.36 121.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.735 . . . . 1.55 109.312 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 152.68 25.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 4.0099999999999998 109.28 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 49' ' ' CYS . 5.5 p -155.55 174.93 14.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 2.3199999999999998 108.271 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -156.53 132.71 9.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 3.52 110.316 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.651 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 56.3 t80 -100.44 94.81 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.1699999999999999 111.029 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.473 ' CG ' ' CE1' ' A' ' 50' ' ' TYR . 3.6 m-20 -56.91 116.35 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 3.3300000000000001 109.279 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.3 p -74.83 -1.32 21.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 2.3599999999999999 109.96 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.493 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -79.7 -22.34 43.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 6.4699999999999998 111.04 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -140.07 -47.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 4.5099999999999998 109.323 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.563 ' HA2' ' CZ ' ' A' ' 42' ' ' PHE . . . 108.37 50.54 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.113 . . . . 1.3799999999999999 111.01 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.584 ' CD ' ' CE2' ' A' ' 29' ' ' TYR . 13.7 mmtp -83.52 -105.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 4.1600000000000001 109.323 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 29' ' ' TYR . 1.8 p 158.15 -25.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 3.77 108.298 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.473 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 64.5 m-85 37.5 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 2.6000000000000001 110.965 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 2.1800000000000002 108.313 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.318 -0.623 . . . . 1.95 109.318 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.47 138.37 32.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 1.75 110.368 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 7.7 m-30 -88.28 -176.64 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 3.48 110.996 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -148.49 140.82 24.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 2.2400000000000002 109.311 180.0 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.92 -142.21 3.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.13 . . . . 0.41999999999999998 110.963 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' LYS . 21.1 mttm -135.8 159.27 42.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 2.8500000000000001 109.343 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ALA . 2.1 p -132.35 152.05 51.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 1.0 108.333 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 12' ' ' ASN . 18.6 m-30 -115.19 139.09 50.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 3.04 110.991 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -80.21 -47.76 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 3.2400000000000002 109.289 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.31 -29.05 63.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 5.0199999999999996 109.32 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.425 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 5.2 m-20 -107.96 -10.57 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 2.5099999999999998 109.347 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.551 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 11.9 t-20 42.36 54.84 4.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 2.4199999999999999 109.351 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.468 ' CD1' HG21 ' A' ' 25' ' ' ILE . 2.7 pp -137.21 169.36 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 1.9099999999999999 109.345 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 1.8 t -126.19 103.81 7.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.27 108.24 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 25' ' ' ILE . 3.0 ptmt -96.06 129.24 43.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 3.8100000000000001 109.28 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.574 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 1.1 p90 -154.39 179.54 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.79 111.014 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.18 99.39 8.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 3.3500000000000001 109.286 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . . . -48.3 164.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 2.3399999999999999 109.307 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 2.7 tp-100 -57.16 -32.68 66.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 6.3399999999999999 110.305 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.89 1.42 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 3.1800000000000002 109.99 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.01 0.28 64.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 3.0099999999999998 110.987 179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -40.46 91.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 6.5 109.292 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.574 HG23 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -79.88 -175.83 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 6.2300000000000004 110.409 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 163.72 114.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 3.5699999999999998 109.299 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.538 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 4.4 mt 60.59 136.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 2.73 109.324 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 27' ' ' LYS . 2.0 t -153.34 104.45 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.3799999999999999 108.319 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 26' ' ' CYS . 4.6 mtpt -36.63 138.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 6.2999999999999998 109.276 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -86.87 124.23 32.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 2.1600000000000001 108.344 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.573 ' CE1' ' HD2' ' A' ' 48' ' ' LYS . 1.4 p90 -112.67 13.41 19.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 4.7199999999999998 111.008 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.562 HG22 ' CE1' ' A' ' 29' ' ' TYR . 79.6 t -119.23 -104.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 4.5899999999999999 109.304 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -94.06 98.65 11.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 3.9500000000000002 109.27 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -36.64 149.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 4.8499999999999996 109.3 179.947 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 2.1 t -60.77 139.54 93.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 1.3600000000000001 108.324 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.523 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.96 -46.63 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.533 1.807 . . . . 0.76000000000000001 111.017 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.1 ptt180 -164.31 136.86 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 4.8499999999999996 110.264 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.515 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -36.12 130.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 3.21 109.303 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.25 -26.22 24.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.56999999999999995 110.989 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.523 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.36 124.47 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 1.3999999999999999 109.339 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' NZ ' ' OE2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -68.83 150.29 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 3.8100000000000001 109.235 -179.941 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.431 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -149.77 -177.17 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 2.2999999999999998 108.273 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 40' ' ' CYS . 1.1 pm0 -153.87 122.59 6.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 2.9100000000000001 110.313 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.587 ' CE2' ' HA2' ' A' ' 47' ' ' GLY . 1.8 t80 -91.61 118.48 30.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 1.6699999999999999 111.019 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.602 ' CG ' ' CE1' ' A' ' 50' ' ' TYR . 1.3 m-20 -76.01 125.67 29.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 2.5499999999999998 109.313 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.78 1.46 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 3.6899999999999999 109.956 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.66 -40.83 9.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 5.9199999999999999 110.991 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -117.15 -40.38 3.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 4.79 109.283 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.587 ' HA2' ' CE2' ' A' ' 42' ' ' PHE . . . 83.8 62.78 1.73 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 1.8200000000000001 111.003 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 29' ' ' TYR . 2.9 mmtt -101.07 -88.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 5.2999999999999998 109.305 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 1.8 p 157.35 -22.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 3.8700000000000001 108.332 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.602 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 40.9 m-85 37.66 76.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 2.4500000000000002 110.99 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 76.4 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 2.1200000000000001 108.334 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.28 -0.637 . . . . 2.1099999999999999 109.28 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.406 ' OG1' ' OH ' ' A' ' 45' ' ' TYR . 3.2 m -56.64 130.45 45.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 1.75 110.439 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -93.31 117.56 30.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 2.4700000000000002 111.021 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.32 155.18 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 2.5 109.306 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.35 -150.09 10.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.75 110.986 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -142.82 160.91 39.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 3.52 109.336 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.475 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 25.3 t -128.71 156.38 43.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 3.3399999999999999 108.314 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.599 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 8.6 m-30 -116.47 148.59 40.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 3.7599999999999998 111.001 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 8.5 ptmt -85.31 -50.62 7.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 2.9399999999999999 109.321 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 4.1 tttt -53.36 -31.98 47.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 3.96 109.276 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.5 ' CB ' HG13 ' A' ' 13' ' ' ILE . 13.7 m-20 -105.87 -16.74 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 3.1299999999999999 109.333 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.599 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 7.0 t30 45.62 53.96 8.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 2.5699999999999998 109.309 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.5 HG13 ' CB ' ' A' ' 11' ' ' ASP . 1.2 pp -144.8 145.98 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 2.1899999999999999 109.3 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -93.86 112.5 24.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 1.6000000000000001 108.267 -179.977 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 6' ' ' LYS . 2.7 mptt -97.74 105.68 17.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 6.2400000000000002 109.298 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 17' ' ' LYS . 11.4 p90 -134.53 -170.46 2.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.74 110.979 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 9.0 mmtt -80.53 154.58 27.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 3.46 109.294 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -111.09 39.45 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 3.77 109.301 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 3.6 tp-100 67.23 -59.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 4.2599999999999998 110.286 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -48.76 -30.16 5.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 3.7000000000000002 109.973 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.474 ' O ' ' CE ' ' A' ' 17' ' ' LYS . . . 119.64 -13.74 10.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 3.8199999999999998 110.946 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' O ' ' OG1' ' A' ' 23' ' ' THR . 31.5 tttm -71.02 -111.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 10.119999999999999 109.324 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 24' ' ' ALA . 17.4 m -161.0 149.39 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 7.5300000000000002 110.404 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . -134.71 138.01 44.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 4.4199999999999999 109.283 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.471 ' CG2' ' HB ' ' A' ' 13' ' ' ILE . 4.9 mt -111.95 142.91 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 3.3599999999999999 109.312 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' LYS . 21.6 p -149.75 106.97 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 2.8100000000000001 108.276 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' CYS . 30.9 mttt -39.5 146.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 4.0899999999999999 109.298 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.477 ' HA ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -78.15 120.0 22.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.76 108.346 179.96 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.437 ' CD2' ' O ' ' A' ' 29' ' ' TYR . 3.5 p90 -99.83 12.04 37.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 7.1500000000000004 110.971 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.463 HG23 ' C ' ' A' ' 51' ' ' CYS . 12.7 m -98.25 -139.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 6.8700000000000001 109.303 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -95.63 47.14 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 8.9499999999999993 109.288 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.542 ' HG2' ' N ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER 58.64 144.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 5.8300000000000001 109.287 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.542 ' N ' ' HG2' ' A' ' 32' ' ' LYS . 1.3 t -60.38 141.83 91.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 1.3999999999999999 108.298 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.2 Cg_endo -75.04 -33.54 4.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 1.1499999999999999 110.943 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.16 151.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 4.96 110.342 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.54 128.32 28.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 2.7999999999999998 109.31 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.79 -23.24 17.62 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.66000000000000003 110.947 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.18 114.86 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 1.74 109.286 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 17.4 tttt -61.91 150.61 37.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 3.6800000000000002 109.325 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -164.8 160.57 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 2.2999999999999998 108.288 -179.998 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 2.1 mt-10 -129.78 141.68 50.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 3.6400000000000001 110.293 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 34.1 t80 -100.17 107.92 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.6699999999999999 111.01 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.49 ' OD1' ' CE1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -69.23 106.38 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 2.8900000000000001 109.301 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -76.39 0.42 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.6699999999999999 109.986 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 1.4 m-85 -76.68 -34.97 58.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 6.2599999999999998 111.013 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -127.2 -45.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 4.9199999999999999 109.329 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.95 33.46 3.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 1.22 110.985 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 49' ' ' CYS . 31.7 mmtm -71.24 -117.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 4.4500000000000002 109.278 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 158.87 85.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 2.52 108.298 -179.977 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.49 ' CE1' ' OD1' ' A' ' 43' ' ' ASP . 4.6 m-85 -67.91 59.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 2.3599999999999999 110.972 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.477 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 3.6 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 2.54 108.295 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.664 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.297 -0.631 . . . . 0.97 109.297 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.714 HG22 ' HB3' ' A' ' 41' ' ' GLU . 2.9 m -64.09 143.01 58.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.86 110.416 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.475 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 6.2 m-30 -97.75 -163.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 2.28 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 8.1 m-80 -155.59 141.27 17.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 2.56 109.331 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -166.81 -135.09 1.8 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.42 111.003 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 29.0 mttt -146.98 160.01 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 2.54 109.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 p -134.91 153.41 52.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.98 108.334 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.546 ' CD2' HD11 ' A' ' 13' ' ' ILE . 17.3 m-30 -114.8 134.4 55.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 1.87 111.043 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -75.37 -48.35 23.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 2.15 109.327 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 1.7 ttmt -54.76 -47.9 73.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 3.54 109.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.445 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 73.3 m-20 -89.79 -6.14 56.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 2.44 109.332 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.517 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 10.1 t30 38.67 61.09 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 2.41 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.834 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.0 pp -142.86 165.3 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.32 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.525 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 2.5 t -123.48 110.81 15.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.27 108.312 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.683 ' CG ' HG23 ' A' ' 25' ' ' ILE . 1.4 mtpm? -104.68 135.47 46.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 2.84 109.292 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.565 ' OH ' ' CD1' ' A' ' 42' ' ' PHE . 2.2 p90 -164.23 157.2 17.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 1.06 111.039 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.96 109.27 18.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 4.53 109.278 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.92 109.306 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.305 -0.628 . . . . 2.32 109.305 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.683 HG23 ' CG ' ' A' ' 15' ' ' LYS . 1.4 mp -43.66 141.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.94 109.272 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' LYS . 42.4 t -146.91 108.98 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 1.39 108.321 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.834 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -34.03 140.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 4.99 109.328 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -76.55 77.25 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.66 108.24 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.827 ' O ' HG22 ' A' ' 30' ' ' VAL . 6.3 t80 -62.68 114.38 3.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 5.02 110.955 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 74.54 146.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 3.64 109.302 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER 39.38 74.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 3.29 109.269 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 33' ' ' CYS . 3.7 ttmt -40.68 160.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 4.69 109.326 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -56.59 144.34 64.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 1.32 108.298 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.01 -45.03 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.563 1.823 . . . . 0.78 110.972 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -167.49 137.76 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 4.11 110.301 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.493 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.35 132.04 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 2.45 109.352 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.4 -19.9 52.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.5 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -44.41 118.05 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.45 109.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 1.6 tmpt? -62.67 146.98 50.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 3.53 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.502 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -157.46 153.23 26.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 2.21 108.316 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.714 ' HB3' HG22 ' A' ' 2' ' ' THR . 23.1 mt-10 -116.83 150.91 37.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 3.87 110.322 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.565 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 75.8 t80 -106.45 99.38 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.04 110.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.586 ' CG ' ' CE1' ' A' ' 50' ' ' TYR . 1.7 m-20 -62.28 122.29 15.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 2.69 109.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.664 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 13.2 p -90.84 24.73 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.32 109.975 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -111.59 -24.18 10.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 5.61 110.97 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -131.89 -51.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 3.95 109.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.88 25.06 4.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 1.07 111.029 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -148.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 3.15 109.305 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.414 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -159.23 70.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 2.63 108.281 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.586 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 8.6 m-85 -45.89 95.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 1.51 111.038 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 50.7 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 2.42 108.316 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.68 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.308 -0.627 . . . . 0.93 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.719 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.7 OUTLIER -68.93 126.87 31.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.09 110.354 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 3.8 m-30 -85.55 -165.94 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 2.36 110.972 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 4.5 m-80 -154.9 144.57 21.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 2.85 109.241 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -168.38 -132.42 1.42 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.51 111.012 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 11.2 mttp -144.55 166.55 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 2.1 109.264 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' ALA . 5.8 p -142.18 154.1 44.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.97 108.297 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.537 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 17.6 m-30 -114.27 141.0 48.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 1.83 111.01 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -81.43 -47.91 12.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 2.28 109.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -54.34 -38.21 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 4.62 109.318 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.858 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.5 m-20 -102.01 -7.57 22.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 2.43 109.332 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 55.3 t30 38.35 58.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 2.47 109.258 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.984 HD13 HG23 ' A' ' 25' ' ' ILE . 2.8 pp -136.61 162.2 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.74 109.301 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' CYS . 12.6 t -115.82 111.71 20.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 1.25 108.289 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -109.11 131.5 55.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 2.69 109.319 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.59 ' CE2' ' CB ' ' A' ' 42' ' ' PHE . 2.2 p90 -163.76 157.6 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 1.29 111.002 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -85.58 109.67 18.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 3.73 109.309 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 2.0 109.297 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.346 -0.613 . . . . 2.22 109.346 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.984 HG23 HD13 ' A' ' 13' ' ' ILE . 1.5 mt -52.27 133.86 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 2.03 109.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' LYS . 4.9 t -138.38 108.81 6.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.74 108.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.908 ' HA ' HG22 ' A' ' 13' ' ' ILE . 20.7 ttmt -37.84 155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 4.62 109.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -89.8 87.12 6.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 1.28 108.278 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.558 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 9.0 t80 -79.72 6.3 11.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 4.48 110.987 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 31' ' ' LYS . 2.1 t -122.33 -139.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 4.09 109.288 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -63.44 115.81 4.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 4.58 109.329 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 18.9 ttpt -39.84 154.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 2.91 109.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -69.81 147.19 96.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 1.45 108.334 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.05 -46.59 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.453 1.765 . . . . 0.65 111.011 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.9 ptt85 -172.89 143.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 3.6 110.318 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.524 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.1 t0 -37.03 134.33 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 2.21 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.85 -23.49 34.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.44 111.021 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.479 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -41.62 120.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.36 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -65.9 146.88 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 2.43 109.267 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 14.8 t -152.16 162.01 41.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 2.19 108.326 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -125.76 146.75 49.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 2.94 110.318 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 46.9 t80 -108.23 107.58 18.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 1.01 111.027 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.719 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.8 OUTLIER -72.91 124.94 26.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 2.76 109.303 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.68 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 59.7 p -91.5 28.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.28 109.973 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -113.01 -24.85 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 5.57 111.01 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -126.92 -54.38 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 3.26 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.79 26.75 3.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 1.2 111.047 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -94.51 -165.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 5.76 109.276 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.11 96.3 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 2.79 108.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -75.6 78.88 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 1.68 111.017 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 95.3 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 2.11 108.316 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.443 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.281 -0.637 . . . . 0.93 109.281 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.773 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.8 OUTLIER -81.41 138.09 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.79 110.393 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 18' ' ' ALA . 3.5 m-30 -98.01 -166.68 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 2.11 110.984 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 4.0 m-80 -155.01 147.13 23.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 3.07 109.304 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 6' ' ' LYS . . . -168.85 -127.93 0.96 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.64 110.991 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 51.7 mttt -150.26 165.83 31.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 2.01 109.302 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.9 p -141.77 151.22 42.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.99 108.317 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.629 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.2 m-30 -114.5 140.74 48.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 2.14 110.979 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 12' ' ' ASN . 13.5 mttt -58.63 -73.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 4.26 109.305 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.3 tttt -38.74 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 3.59 109.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.713 ' O ' HG23 ' A' ' 13' ' ' ILE . 15.6 m-20 -52.5 -21.47 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 2.24 109.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.629 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 52.5 t30 38.86 56.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 2.49 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.977 HD13 HG23 ' A' ' 25' ' ' ILE . 2.8 pp -130.63 172.77 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.68 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 37.8 t -121.04 102.17 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 1.2 108.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -96.07 129.42 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 3.96 109.315 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.586 ' CE2' ' CB ' ' A' ' 42' ' ' PHE . 2.0 p90 -162.36 163.77 27.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.23 110.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 18' ' ' ALA . 1.2 tmtt? -95.65 100.48 12.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 3.68 109.305 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.585 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 2.02 109.286 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.327 -0.62 . . . . 2.55 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.977 HG23 HD13 ' A' ' 13' ' ' ILE . 2.1 mt 60.64 142.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 1.8 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' LYS . 43.4 t -160.44 108.44 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 1.37 108.302 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.914 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -37.56 139.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 3.73 109.293 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -72.34 75.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 1.36 108.317 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 1.2 t80 -83.99 4.43 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 4.38 110.983 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 48' ' ' LYS . 3.5 t -103.97 -64.54 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 5.25 109.285 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 6.7 mttm -149.67 129.5 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 4.05 109.324 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 29.0 ttmt -39.79 157.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 3.38 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -83.6 143.62 44.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 1.53 108.262 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.477 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 18.1 Cg_endo -75.01 -42.38 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.74 110.992 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -178.29 147.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 3.71 110.282 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.61 133.29 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 2.74 109.293 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.81 -27.94 17.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.502 1.126 . . . . 0.62 110.98 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.477 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -38.96 117.12 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 0.738 . . . . 0.46 109.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.707 ' HZ3' ' C ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -68.35 146.61 53.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 4.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.528 ' HA ' ' HZ1' ' A' ' 39' ' ' LYS . 38.9 t -152.58 161.54 42.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 2.26 108.314 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.63 ' HB2' HG22 ' A' ' 2' ' ' THR . 7.6 pt-20 -125.14 149.65 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 3.88 110.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.586 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 69.2 t80 -107.06 104.91 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.87 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.773 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.9 OUTLIER -67.77 135.53 52.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 2.6 109.307 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.422 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 15.8 p -95.58 -16.96 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.33 109.989 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -68.53 -9.21 47.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 7.15 111.004 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 20.4 mtpt -148.8 -58.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 3.88 109.288 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.2 49.16 0.41 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 1.03 111.035 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -118.62 175.27 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 3.36 109.263 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 14' ' ' CYS . 1.6 p -123.81 96.09 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 2.05 108.271 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.405 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 21.2 m-85 -66.82 67.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 1.62 110.968 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 3.6 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 1.67 108.262 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.572 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.293 -0.632 . . . . 0.85 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.772 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -78.13 142.87 37.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.81 110.43 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 2.8 m-30 -103.3 -169.46 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 1.89 110.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -150.92 147.0 26.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.99 109.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -170.63 -135.76 1.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.52 111.014 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 39.7 mttt -147.18 156.73 43.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 0.777 . . . . 1.86 109.291 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -126.21 159.21 33.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 1.0 108.256 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.5 m-30 -114.03 150.8 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 1.81 111.025 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 34' ' ' PRO . 3.7 mttt -81.39 -62.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 4.42 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -46.97 -56.77 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 3.92 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.811 ' O ' HG23 ' A' ' 13' ' ' ILE . 29.5 m-20 -75.51 -13.3 60.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 2.38 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.581 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 47.0 t30 38.51 54.21 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 2.37 109.29 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.912 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.3 pp -133.69 177.7 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.66 109.337 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 26' ' ' CYS . 1.0 OUTLIER -128.53 118.74 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.39 108.275 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.795 ' CG ' HG23 ' A' ' 25' ' ' ILE . 23.7 mtpt -111.64 133.99 53.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 3.26 109.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.601 ' CE2' ' CB ' ' A' ' 42' ' ' PHE . 1.8 p90 -162.67 156.88 21.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 1.15 111.001 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -86.43 107.17 17.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 4.28 109.265 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 1.97 109.32 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.465 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.263 -0.644 . . . . 2.27 109.263 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.795 HG23 ' CG ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -52.85 130.7 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 2.09 109.334 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' CYS . 8.6 t -130.18 100.79 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.38 108.325 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.912 ' HA ' HG22 ' A' ' 13' ' ' ILE . 2.4 ptpt -40.86 149.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 3.85 109.258 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.456 ' HG ' ' CB ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -65.0 -154.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 2.34 108.28 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.764 ' CD1' HG23 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -178.16 98.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 4.76 111.002 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.764 HG23 ' CD1' ' A' ' 29' ' ' TYR . 1.7 t 70.56 -71.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 4.4 109.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.77 72.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 4.18 109.276 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' VAL . 11.0 ttpt -41.73 151.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 3.17 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 8' ' ' TYR . 13.2 m -63.66 147.54 95.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 3.24 108.301 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.501 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.84 111.006 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 173.97 147.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 3.94 110.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 5.2 t70 -40.38 142.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 2.36 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.28 -28.6 7.93 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.72 111.019 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.501 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -40.93 115.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.57 109.261 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -65.64 145.01 56.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 2.33 109.336 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -155.12 160.05 40.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 2.17 108.278 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.521 ' HB2' HG22 ' A' ' 2' ' ' THR . 4.9 pt-20 -126.21 146.27 50.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 3.73 110.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.601 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 70.7 t80 -102.91 110.15 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.02 111.021 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.772 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.7 OUTLIER -74.75 136.09 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 2.87 109.32 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 p -94.09 -18.77 21.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 1.32 110.02 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.624 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -76.1 -8.36 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 6.27 110.992 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 62.8 mttt -152.71 -63.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 2.89 109.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.01 67.79 1.13 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 1.23 111.015 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 13.1 mmtp -117.21 10.94 13.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 3.81 109.298 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 43.06 77.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 2.61 108.292 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -59.12 87.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.38 111.035 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.456 ' CB ' ' HG ' ' A' ' 28' ' ' CYS . 12.2 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.95 108.299 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.423 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.326 -0.62 . . . . 1.14 109.326 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.661 HG23 ' HA ' ' A' ' 43' ' ' ASP . 4.1 m -68.51 138.72 55.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.85 110.375 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 4.8 m-30 -92.29 179.52 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 2.19 110.999 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.402 ' OD1' ' OE2' ' A' ' 41' ' ' GLU . 3.8 m-80 -140.46 137.49 33.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 2.32 109.309 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.01 -139.06 2.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.39 111.015 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 33.9 mttt -147.83 156.78 43.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 2.42 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -127.54 155.79 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 1.1 108.302 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 18.1 m-85 -105.93 169.22 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 2.22 111.018 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -92.57 -69.78 0.73 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 3.55 109.257 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -42.17 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 3.79 109.319 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.855 ' O ' HG23 ' A' ' 13' ' ' ILE . 3.7 m-20 -59.12 -16.53 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 2.63 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.552 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 63.9 t30 37.38 63.47 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 2.82 109.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.988 HD13 HG23 ' A' ' 25' ' ' ILE . 1.7 pp -131.5 168.28 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.78 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' CYS . 1.2 m -114.5 110.12 19.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 2.12 108.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HD2' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -107.76 129.28 55.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 2.82 109.318 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.609 ' OH ' ' CD1' ' A' ' 42' ' ' PHE . 1.8 p90 -161.09 158.31 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 1.14 111.012 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -87.34 105.32 17.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 3.78 109.259 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.97 109.314 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.287 -0.634 . . . . 2.28 109.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.988 HG23 HD13 ' A' ' 13' ' ' ILE . 1.6 mt -49.42 139.63 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 2.09 109.273 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 14' ' ' CYS . 4.0 t -146.16 111.79 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 1.95 108.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.897 ' HA ' HG22 ' A' ' 13' ' ' ILE . 18.0 ttpt -36.66 154.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 4.49 109.294 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.63 85.13 6.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.38 108.292 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.578 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 3.1 t80 -79.09 5.11 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 4.04 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.49 HG12 ' H ' ' A' ' 31' ' ' LYS . 2.0 t -115.28 -139.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 4.42 109.331 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -67.12 118.07 10.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 4.11 109.278 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.53 153.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 3.23 109.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.822 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.9 t -74.27 140.09 76.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 1.48 108.352 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -29.52 8.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 0.89 111.011 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER 172.49 140.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 4.43 110.277 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.56 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -36.07 137.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 2.68 109.315 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.4 -28.25 16.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.66 110.963 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.822 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -40.83 118.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.55 109.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -63.99 150.58 44.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 2.68 109.264 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 1.9 p -153.86 152.97 31.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 2.27 108.248 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' CD ' ' C ' ' A' ' 40' ' ' CYS . 1.3 mm-40 -122.84 129.76 52.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 3.4 110.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.609 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 71.3 t80 -92.76 101.52 13.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.91 111.016 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.661 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.4 OUTLIER -64.47 129.65 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 2.46 109.305 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 p -96.81 21.39 9.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 1.3 110.009 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -104.53 -25.89 12.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 5.63 111.021 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -126.39 -53.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 3.86 109.315 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.82 32.64 1.85 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 1.19 111.007 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.99 170.79 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 4.73 109.277 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.09 96.86 5.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 2.94 108.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -69.77 61.88 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.54 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.7 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.86 108.3 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.559 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.322 -0.621 . . . . 0.92 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.77 HG22 ' HB3' ' A' ' 41' ' ' GLU . 3.8 m -63.0 134.12 55.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.99 110.383 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 6.3 m-30 -89.22 -164.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 2.26 110.95 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -155.77 148.25 23.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 2.73 109.285 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 6' ' ' LYS . . . -172.05 -132.08 1.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.41 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 26.2 mttt -148.89 160.53 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 1.98 109.322 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.453 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -134.04 158.31 43.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.13 108.303 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 17.6 m-30 -114.15 169.24 9.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.77 111.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.481 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 1.1 ptpt -99.48 -56.64 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 2.47 109.283 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.37 -56.46 8.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 3.53 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.838 ' O ' HG23 ' A' ' 13' ' ' ILE . 10.8 m-20 -81.07 -14.91 57.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 2.37 109.329 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 12.6 t30 40.29 61.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 2.99 109.315 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.925 HD13 HG23 ' A' ' 25' ' ' ILE . 1.7 pp -135.91 179.83 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.63 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.7 OUTLIER -127.88 112.85 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 1.49 108.291 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -108.82 131.9 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 2.74 109.26 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.584 ' CE2' ' HB2' ' A' ' 42' ' ' PHE . 1.9 p90 -161.17 158.44 27.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.02 111.066 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -86.68 106.08 17.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 4.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 2.09 109.265 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.299 -0.63 . . . . 2.29 109.299 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.925 HG23 HD13 ' A' ' 13' ' ' ILE . 1.6 mt -50.02 141.57 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 2.02 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.2 t -148.67 112.6 5.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 2.13 108.273 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.843 ' HA ' HG22 ' A' ' 13' ' ' ILE . 13.7 mttt -35.61 150.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 3.83 109.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.15 -150.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 2.22 108.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.511 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -150.12 -147.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 3.67 111.001 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -41.61 78.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 4.39 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.939 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 7.9 mttt -84.48 71.0 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 4.48 109.286 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 31' ' ' LYS . 12.4 mtmt -43.99 167.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 2.98 109.316 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.849 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 2.0 t -79.53 139.09 54.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.45 108.297 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.507 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.05 -36.15 2.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.85 110.975 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.481 ' HA ' ' CE ' ' A' ' 9' ' ' LYS . 1.1 ptm180 -175.98 141.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 5.21 110.346 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.552 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.79 135.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 2.45 109.283 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 102.58 -28.67 14.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.555 1.159 . . . . 0.55 110.978 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.849 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -38.62 120.14 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.48 109.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -66.42 150.7 48.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 3.23 109.262 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.43 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 5.8 p -156.97 170.43 22.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 2.17 108.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.77 ' HB3' HG22 ' A' ' 2' ' ' THR . 22.0 mt-10 -134.15 156.28 48.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 4.19 110.27 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.584 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 58.6 t80 -111.78 96.43 6.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.17 110.991 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.624 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.2 OUTLIER -58.43 127.31 31.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 2.47 109.298 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.559 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 18.7 p -92.79 6.57 47.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.35 109.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.595 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -86.95 -33.33 19.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 5.26 110.963 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -127.35 -48.06 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 3.37 109.261 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.77 26.47 3.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 1.3 110.976 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.511 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -77.04 -171.2 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 5.27 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -142.32 84.96 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 3.36 108.308 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -51.25 170.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 2.93 111.012 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.939 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 2.76 108.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.506 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.305 -0.628 . . . . 0.97 109.305 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.721 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.2 m -79.06 128.22 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.89 110.361 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 2.8 m-30 -88.73 -172.34 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 2.2 110.988 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -145.6 137.02 25.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 2.49 109.302 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -163.42 -139.82 2.72 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.44 110.972 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 36.7 mttm -144.03 161.13 39.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 2.59 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.3 p -130.93 153.31 49.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 108.283 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 16.8 m-30 -113.46 136.67 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.79 110.995 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -77.52 -47.89 18.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 2.49 109.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -53.62 -43.59 68.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 3.46 109.299 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.977 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -96.01 -7.54 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 2.31 109.319 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.51 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 59.7 t30 38.33 59.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 2.47 109.286 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.05 HD13 HG23 ' A' ' 25' ' ' ILE . 1.7 pp -134.91 177.57 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.88 109.302 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.03 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -127.0 107.51 10.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 2.04 108.288 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -105.43 130.54 53.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 2.87 109.334 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.601 ' CE2' ' CG ' ' A' ' 42' ' ' PHE . 2.2 p90 -162.96 159.65 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.17 111.023 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -86.58 110.14 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 4.19 109.341 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 1.95 109.325 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.314 -0.624 . . . . 2.3 109.314 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.05 HG23 HD13 ' A' ' 13' ' ' ILE . 1.4 mt -48.01 134.57 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 2.23 109.298 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' LYS . 22.9 t -140.26 109.03 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.77 108.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.83 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.4 ptpt -36.55 147.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 3.89 109.314 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.426 ' HG ' ' CB ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -60.53 -155.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 2.24 108.312 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.671 ' CD1' HG23 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -178.16 100.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 4.4 111.015 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.671 HG23 ' CD1' ' A' ' 29' ' ' TYR . 1.3 t 67.37 -71.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 3.85 109.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' TYR . 1.1 tttp -70.85 69.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 3.69 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 19.0 ttpt -40.47 153.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 3.1 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -65.65 144.29 98.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 1.3 108.276 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.49 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -45.16 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.7 111.016 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -176.35 143.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 3.58 110.276 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.3 t70 -39.25 136.69 0.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 2.46 109.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.94 -24.0 30.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.49 111.001 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.49 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -44.63 118.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.41 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.493 ' CE ' ' OE2' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -62.36 147.95 46.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 2.75 109.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.414 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 1.8 p -154.65 146.61 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 2.34 108.356 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.493 ' OE2' ' CE ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -116.5 129.92 56.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 3.43 110.25 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.601 ' CG ' ' CE2' ' A' ' 16' ' ' TYR . 65.0 t80 -89.37 104.31 16.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.9 110.972 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.721 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.7 t0 -70.27 130.07 41.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 2.58 109.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 p -95.53 -3.6 46.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.27 109.957 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.598 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -73.76 -11.41 60.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 7.02 111.039 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 16.1 mttt -143.66 -57.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 3.19 109.355 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.97 36.72 0.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 1.42 110.986 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' CE ' ' HB3' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -111.34 179.91 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 4.93 109.28 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.97 94.4 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 2.67 108.298 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.76 74.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 1.3 111.025 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 1.03 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.88 108.265 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.53 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.276 -0.639 . . . . 1.12 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.535 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.8 m -52.75 141.38 21.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.98 110.364 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -96.01 -166.36 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 1.91 111.014 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -149.67 135.04 18.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 2.13 109.347 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -163.66 -139.71 2.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.39 110.999 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 18.4 mttm -141.09 164.79 29.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 2.63 109.305 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 1.6 p -138.39 156.32 47.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.98 108.253 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.731 ' HD2' HD11 ' A' ' 13' ' ' ILE . 39.2 m-85 -116.09 137.22 52.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.82 111.013 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -77.64 -48.87 15.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 2.33 109.282 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.454 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 15.4 tttt -54.04 -44.46 71.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 3.57 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 13' ' ' ILE . 4.8 m-20 -90.79 -14.21 32.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 2.15 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 11.9 t30 46.66 53.33 10.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 2.23 109.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.93 HD13 HG23 ' A' ' 25' ' ' ILE . 2.0 pp -136.6 174.66 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.69 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -129.87 122.41 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.35 108.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.472 ' HD3' ' CE2' ' A' ' 8' ' ' TYR . 1.6 pttp -115.47 137.3 52.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 4.48 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.552 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.6 p90 -159.91 160.97 34.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.9 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -89.02 103.3 15.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 4.86 109.331 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 2.03 109.291 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.315 -0.624 . . . . 2.4 109.315 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.93 HG23 HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -50.05 134.92 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 2.36 109.253 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 27' ' ' LYS . 20.9 t -140.95 110.33 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 1.79 108.31 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.841 ' HA ' HG22 ' A' ' 13' ' ' ILE . 15.0 mtpt -33.29 146.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 4.65 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -82.92 -167.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 2.07 108.289 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.33 -149.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 4.62 110.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 t -50.66 -29.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 3.84 109.306 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.559 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 12.4 mmtt -86.48 57.01 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 4.33 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.6 ttmt -39.44 154.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 3.31 109.304 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.421 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 5.4 t -69.89 140.41 88.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 1.21 108.288 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.487 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.789 . . . . 0.73 111.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.5 ptt85 -170.05 139.85 1.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 3.67 110.299 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.474 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -35.75 134.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 2.44 109.322 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.69 -22.26 36.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.45 111.059 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.487 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -43.32 120.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.38 109.32 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -66.36 146.39 54.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 2.72 109.306 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 1.6 p -155.72 158.01 37.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 2.12 108.312 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.465 ' HB3' HG22 ' A' ' 2' ' ' THR . 5.7 mt-10 -119.13 139.61 51.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 3.34 110.304 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.502 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 79.4 t80 -97.74 103.58 15.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.93 111.004 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.571 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 4.0 t70 -64.5 121.62 14.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 2.76 109.329 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.53 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 12.7 p -90.7 19.57 5.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 1.19 109.972 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -111.31 -23.74 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 5.48 111.008 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -132.99 -48.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 3.63 109.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.66 7.84 13.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.147 . . . . 1.48 111.011 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 137.47 37.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 3.28 109.295 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.508 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 77.2 m -90.08 95.27 10.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 2.93 108.275 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -60.45 100.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 1.32 111.012 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 2.35 108.286 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.611 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.303 -0.628 . . . . 0.87 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.81 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -80.76 134.58 35.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.96 110.382 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.554 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 8.7 m-85 -90.85 -174.41 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 1.74 110.993 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -153.4 142.7 21.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 2.91 109.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -170.36 -128.44 1.02 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.552 1.157 . . . . 0.64 110.958 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.841 ' C ' ' HZ1' ' A' ' 15' ' ' LYS . 12.0 mttm -142.03 166.68 24.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 2.05 109.251 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.967 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.7 p -143.34 151.88 40.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.02 108.311 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.55 ' CG ' ' HE2' ' A' ' 15' ' ' LYS . 17.4 m-30 -114.55 136.6 52.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 2.02 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.482 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -76.72 -48.65 18.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 2.4 109.301 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 15.3 tttm -54.25 -45.56 72.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 2.87 109.328 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.438 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 18.9 m-20 -90.38 -10.5 43.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 2.42 109.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 8' ' ' TYR . 12.4 t30 39.84 63.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 2.25 109.297 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.829 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.2 pp -140.99 176.76 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.95 109.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -129.93 110.52 11.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 1.77 108.329 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.841 ' HZ1' ' C ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -99.02 135.49 40.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 5.52 109.307 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.521 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 2.2 p90 -164.9 157.19 15.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 1.01 110.957 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 101.36 13.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 3.47 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.93 109.303 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.298 -0.63 . . . . 2.86 109.298 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 1.5 mt 60.75 136.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 2.11 109.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' LYS . 52.2 t -157.68 109.51 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.81 108.316 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.829 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -37.42 141.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 5.12 109.334 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -162.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 2.31 108.295 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.545 ' C ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -178.35 122.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 5.63 110.991 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.545 HG23 ' C ' ' A' ' 29' ' ' TYR . 2.1 t 69.19 -70.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 3.22 109.337 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -80.03 58.47 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 3.87 109.321 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LYS . 16.1 ttmt -39.11 156.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 4.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 7' ' ' CYS . 1.8 m -68.16 140.52 93.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 3.35 108.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.497 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -57.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.501 1.79 . . . . 1.11 111.006 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.407 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 3.2 ptt180 -158.05 146.06 18.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 3.42 110.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.537 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.05 135.4 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 2.56 109.289 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 94.49 -27.48 13.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.431 1.082 . . . . 0.54 110.996 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.497 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -39.54 123.95 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.45 109.277 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -73.24 147.2 44.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 2.39 109.331 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 1.31 ' SG ' ' HA ' ' A' ' 51' ' ' CYS . 6.9 t -154.73 170.69 21.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 2.58 108.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.572 ' HB2' HG22 ' A' ' 2' ' ' THR . 11.1 pt-20 -133.87 148.55 51.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 3.65 110.297 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.554 ' CD2' ' CE2' ' A' ' 3' ' ' TYR . 55.6 t80 -106.18 106.92 17.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.88 110.962 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.81 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.9 m-20 -72.89 129.56 38.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 3.05 109.302 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.611 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 91.1 p -92.91 11.9 25.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.32 109.988 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.432 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 3.6 m-85 -90.05 -33.06 16.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 5.32 111.01 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -124.94 -50.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 3.57 109.295 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.42 23.16 4.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.159 . . . . 1.03 110.976 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -97.75 177.19 5.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 5.88 109.282 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.76 97.22 6.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 2.39 108.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.438 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 14.7 m-85 -71.91 56.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.5 111.053 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 1.31 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 2.8 108.274 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.518 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 1.11 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.847 HG23 ' HA ' ' A' ' 43' ' ' ASP . 2.2 m -79.25 143.36 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.97 110.363 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.62 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 2.3 m-30 -100.44 -179.31 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 2.19 111.056 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.87 150.05 33.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 2.83 109.307 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 178.82 -148.37 8.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.47 110.98 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 44.3 mttt -134.96 156.47 48.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 1.86 109.262 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -119.4 150.54 40.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 1.01 108.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CD1' ' OD1' ' A' ' 36' ' ' ASP . 16.0 m-30 -113.08 131.79 55.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 1.76 111.007 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.445 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -60.06 -63.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 3.44 109.314 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -72.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 3.63 109.317 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.932 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.7 t0 -62.71 -13.9 37.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 3.3 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.542 ' N ' ' O ' ' A' ' 8' ' ' TYR . 49.3 t30 37.95 60.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 2.35 109.328 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.055 HD13 HG23 ' A' ' 25' ' ' ILE . 2.7 pp -134.92 -175.98 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.03 109.348 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -128.98 105.72 8.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 2.21 108.333 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HZ2' ' HE2' ' A' ' 8' ' ' TYR . 22.3 mttt -88.48 139.34 30.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 3.38 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.758 ' CE2' ' HB3' ' A' ' 24' ' ' ALA . 53.5 p90 -166.29 163.49 17.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 1.23 110.961 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -88.22 130.83 34.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 4.84 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 1.83 109.296 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.758 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.29 -0.633 . . . . 3.0 109.29 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.055 HG23 HD13 ' A' ' 13' ' ' ILE . 11.6 mt -97.71 141.15 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 1.69 109.249 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.2 t -139.3 103.71 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 1.46 108.296 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.825 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -40.77 149.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 1.136 . . . . 6.07 109.336 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.707 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -63.59 -150.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.98 108.287 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.47 ' CE2' ' HD2' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -156.7 -147.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 4.0 111.024 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' ' 30' ' ' VAL . 6.1 t -54.66 -27.48 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 4.63 109.289 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 73.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 4.47 109.307 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 14.7 ttpt -40.8 153.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 2.94 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 1.7 t -53.48 141.31 44.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 1.27 108.332 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.515 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.96 -39.69 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 0.89 111.036 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.5 139.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 3.98 110.276 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.571 ' OD1' ' CD1' ' A' ' 8' ' ' TYR . 14.2 t70 -39.59 137.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 2.4 109.353 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.15 -23.1 34.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 0.6 110.978 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.515 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -49.4 117.44 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.47 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -59.25 148.83 30.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 2.3 109.297 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 p -156.87 162.12 39.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 2.38 108.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 2.1 pm0 -143.0 145.37 32.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 2.85 110.246 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' A' ' 3' ' ' TYR . 62.6 t80 -101.39 106.1 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 1.35 111.053 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.847 ' HA ' HG23 ' A' ' 2' ' ' THR . 2.1 m-20 -78.9 127.99 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 3.23 109.317 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.8 p -86.32 5.84 32.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.67 109.976 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -82.25 -35.99 27.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 5.79 110.974 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -117.0 -48.69 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 4.9 109.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.432 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . . . 116.06 14.26 7.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 1.36 110.98 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -102.09 149.16 24.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 5.27 109.317 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -96.57 85.94 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 4.27 108.277 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -44.61 103.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 1.37 110.979 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.707 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.81 108.304 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.585 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.341 -0.614 . . . . 0.89 109.341 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.802 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.4 m -70.08 143.9 52.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.9 110.369 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 3.7 m-30 -102.43 -166.79 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 1.89 110.992 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -139.61 158.34 44.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 2.48 109.259 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 172.57 -158.74 29.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 0.58 111.002 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.423 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -131.31 166.48 21.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 2.61 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.52 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 1.7 p -136.48 171.76 14.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.99 108.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.585 ' CD1' ' HE3' ' A' ' 15' ' ' LYS . 4.4 m-85 -140.11 148.01 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 1.61 111.017 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' ASP . 2.0 ptmt -84.78 -58.94 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 2.31 109.32 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.83 -27.94 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 5.65 109.27 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 13' ' ' ILE . 36.1 t0 -108.28 -24.13 11.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 3.06 109.324 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' TYR . 24.4 t30 53.11 51.75 15.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 2.33 109.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.907 HD13 HG23 ' A' ' 25' ' ' ILE . 2.3 pp -138.24 176.75 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.63 109.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' CYS . 2.1 t -132.73 124.46 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.37 108.298 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.948 ' HG2' HG23 ' A' ' 25' ' ' ILE . 11.2 mttt -112.18 142.2 44.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 4.03 109.271 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.576 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 2.8 p90 -168.82 154.47 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.93 111.0 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -85.56 110.97 19.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 3.54 109.299 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 2.06 109.259 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.576 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.325 -0.62 . . . . 2.39 109.325 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.948 HG23 ' HG2' ' A' ' 15' ' ' LYS . 1.4 mm -55.75 146.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 2.52 109.288 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' CYS . 8.8 t -149.47 108.65 3.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.68 108.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.798 ' HA ' HG22 ' A' ' 13' ' ' ILE . 21.4 ttmt -37.02 154.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 4.16 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.656 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 10.1 m -99.69 110.72 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 1.37 108.336 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.811 ' O ' HG22 ' A' ' 30' ' ' VAL . 3.6 t80 -94.13 124.38 38.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 5.0 111.007 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.811 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 73.74 146.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 3.34 109.307 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER 39.77 81.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 4.38 109.327 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.99 164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 4.88 109.268 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -57.23 145.31 67.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 1.44 108.264 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.463 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.98 -42.58 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 1.01 110.972 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.8 ptt180 -173.77 139.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 3.75 110.338 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -38.15 133.03 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.41 109.327 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.47 -19.82 50.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.449 1.093 . . . . 0.6 110.987 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.463 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -41.13 120.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.45 109.314 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.8 OUTLIER -65.3 148.87 50.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 2.76 109.251 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.43 ' HG ' ' CB ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -158.44 168.41 27.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 2.22 108.337 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.546 ' HB2' HG22 ' A' ' 2' ' ' THR . 9.3 pt-20 -134.33 148.89 50.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 3.56 110.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 75.7 t80 -102.51 107.64 18.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 1.05 111.002 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.802 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.6 OUTLIER -77.05 128.9 35.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 2.91 109.297 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 p -91.45 28.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 1.34 110.072 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -114.18 -23.6 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 5.49 111.017 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -130.41 -53.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 3.06 109.301 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.13 18.61 6.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 1.24 110.933 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -85.35 -168.13 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 0.752 . . . . 3.41 109.283 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.555 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.8 m -142.18 85.11 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 2.75 108.291 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -53.49 109.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 1.42 110.957 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.656 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.81 108.274 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.699 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.283 -0.636 . . . . 1.33 109.283 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.726 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -57.02 147.47 24.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 1.06 110.425 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 19.6 m-30 -102.9 -174.77 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 2.02 110.993 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -145.35 149.28 34.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.89 109.283 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -173.06 -129.68 1.18 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.6 110.974 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 18.1 mttm -149.04 159.92 43.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 2.05 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.407 ' CB ' ' HG ' ' A' ' 40' ' ' CYS . 1.3 p -128.98 155.19 45.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 1.04 108.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.57 ' HD2' HD11 ' A' ' 13' ' ' ILE . 38.8 m-85 -114.23 134.29 55.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 2.14 111.002 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.484 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 8.4 ptmt -75.62 -48.51 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 2.74 109.306 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 14.6 tttt -51.61 -48.84 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 3.66 109.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.898 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -90.92 -8.13 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 2.89 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' TYR . 59.9 t30 39.95 58.87 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 2.55 109.303 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.028 HD13 HG23 ' A' ' 25' ' ' ILE . 2.1 pp -133.1 175.67 10.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.92 109.266 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' HG ' ' CB ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER -127.65 112.37 14.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 2.43 108.31 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -99.3 153.61 18.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 3.1 109.295 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.669 ' CZ ' ' CD1' ' A' ' 42' ' ' PHE . 38.4 p90 -177.88 160.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.08 111.017 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -78.76 122.78 26.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 4.24 109.326 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 1.77 109.298 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.608 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 3.43 109.302 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.028 HG23 HD13 ' A' ' 13' ' ' ILE . 1.2 mt -107.9 144.54 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 1.67 109.357 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.4 t -141.16 102.26 4.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.92 108.32 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.879 ' HA ' HG22 ' A' ' 13' ' ' ILE . 4.2 ptmt -43.26 139.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 5.28 109.303 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -67.7 113.62 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 1.92 108.283 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -110.33 11.29 23.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 4.17 111.006 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.583 HG23 ' SG ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -132.09 -105.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 3.63 109.258 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.84 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -87.14 107.48 18.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 4.65 109.278 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 23.5 ttpt -40.11 154.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 3.32 109.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -71.38 144.71 89.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 1.32 108.305 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.04 -41.86 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.511 1.795 . . . . 0.84 110.979 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.473 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 3.8 ptt180 178.39 149.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 3.38 110.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.3 t0 -44.44 135.93 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 2.8 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' OD1' ' A' ' 36' ' ' ASP . . . 99.26 -30.15 10.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.63 111.003 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.475 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -41.61 117.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.5 109.267 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 1.8 tmtt? -60.63 148.59 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 3.69 109.318 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.44 ' CB ' ' HG ' ' A' ' 14' ' ' CYS . 2.5 p -161.2 154.69 21.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 2.29 108.28 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.51 ' HB2' HG22 ' A' ' 2' ' ' THR . 3.6 pt-20 -117.69 152.68 34.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 4.3 110.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.669 ' CD1' ' CZ ' ' A' ' 16' ' ' TYR . 42.3 t80 -115.66 110.01 18.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.94 111.001 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.726 ' HA ' HG23 ' A' ' 2' ' ' THR . 5.3 t70 -58.81 139.06 56.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 3.18 109.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.699 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 43.2 p -109.59 21.94 16.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.59 109.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.61 ' CD2' ' OD1' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -111.23 -21.04 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 5.38 110.986 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -135.34 -54.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 4.29 109.314 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.48 45.07 0.53 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 1.03 110.965 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -109.46 167.59 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.751 . . . . 5.34 109.283 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' CB ' ' HB2' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -115.08 101.48 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 2.49 108.281 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -80.36 64.99 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.25 111.041 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.84 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 2.93 108.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.742 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.331 -0.618 . . . . 1.08 109.331 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.64 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -59.91 135.99 57.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 1.24 110.347 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -96.52 -172.13 2.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 2.09 110.992 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -145.01 124.48 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 2.13 109.298 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.38 -139.81 3.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.45 111.025 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 18.8 mttt -147.09 158.64 44.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 2.04 109.328 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -134.4 156.93 47.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.26 108.284 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 15.3 m-30 -109.59 171.28 7.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 1.65 111.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -107.68 -47.51 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 2.31 109.257 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 7.6 tttt -53.98 -54.31 40.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 3.08 109.251 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -91.66 -5.75 53.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 3.16 109.324 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 10.2 t30 38.72 65.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 3.04 109.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.588 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.4 pp -132.95 175.06 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.95 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -131.58 106.43 8.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 1.57 108.343 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 9.6 mtpt -97.28 135.07 39.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 3.05 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.622 ' CE2' ' CG ' ' A' ' 42' ' ' PHE . 3.3 p90 -169.44 165.99 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.02 110.99 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -92.75 137.69 32.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 3.93 109.327 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 2.64 109.301 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.268 -0.642 . . . . 2.77 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.438 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 1.6 mt 61.76 136.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.79 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.527 ' O ' ' C ' ' A' ' 27' ' ' LYS . 3.9 t -160.15 113.74 2.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 1.97 108.32 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.588 ' HA ' HG22 ' A' ' 13' ' ' ILE . 7.7 mttt -30.96 143.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 3.85 109.31 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 14.3 m -71.58 62.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.82 108.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.798 ' O ' HG22 ' A' ' 30' ' ' VAL . 7.3 t80 -44.49 117.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 4.87 110.986 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.798 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 73.48 146.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 4.03 109.283 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.6 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 4.02 109.323 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 27.6 ttmt -137.09 147.72 46.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 3.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.854 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -70.12 144.9 93.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 1.64 108.268 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.515 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.4 Cg_endo -74.99 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.98 111.036 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -166.37 143.61 5.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 3.96 110.27 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.57 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.63 133.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 2.41 109.312 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 104.11 -27.16 20.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.53 111.023 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.854 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -37.64 119.82 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.794 . . . . 0.45 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 8.0 tttt -70.52 150.85 45.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 3.81 109.329 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.1 t -154.38 162.71 41.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 2.57 108.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -123.41 121.41 35.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 2.74 110.332 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CG ' ' CE2' ' A' ' 16' ' ' TYR . 53.1 t80 -85.65 110.83 19.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 1.02 111.004 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.64 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.7 OUTLIER -64.15 126.6 28.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 2.39 109.291 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.742 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 24.9 p -88.85 -20.17 24.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 1.57 109.957 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -68.54 -9.73 51.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 7.14 110.955 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 46.6 mttt -151.53 -62.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 3.15 109.28 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.75 45.76 0.33 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.501 1.126 . . . . 1.3 111.024 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 174.83 5.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 0.733 . . . . 4.07 109.275 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.23 112.19 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 2.63 108.325 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.432 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 28.1 m-85 -95.33 63.6 2.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 1.37 110.968 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.65 ' SG ' ' HA ' ' A' ' 33' ' ' CYS . 4.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 3.45 108.336 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.531 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.3 -0.63 . . . . 0.92 109.3 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.822 HG23 ' HA ' ' A' ' 43' ' ' ASP . 2.1 m -71.89 150.45 44.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.83 110.393 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.553 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 4.9 m-30 -108.5 -169.58 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 1.74 110.983 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 8.4 m120 -154.9 154.05 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 2.79 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.95 -133.65 2.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.51 111.024 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 57.7 mttt -144.9 162.5 36.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 1.95 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -136.58 160.68 38.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.98 108.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.541 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 21.0 m-30 -118.75 164.36 15.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 2.12 110.985 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -79.3 -77.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 3.37 109.288 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' LYS . 6.6 ttmt -40.18 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 3.59 109.271 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.505 ' O ' HG23 ' A' ' 13' ' ' ILE . 8.8 m-20 -53.88 -26.02 22.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 3.09 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.55 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 8.7 t30 38.74 59.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 2.11 109.268 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.886 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.2 pp -132.17 -179.81 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.74 109.272 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' CYS . 35.1 t -126.47 107.93 10.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.28 108.309 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.639 ' HG3' HD13 ' A' ' 13' ' ' ILE . 5.7 mtpp -95.06 134.01 38.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 3.02 109.286 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 2.3 p90 -163.95 157.08 18.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.11 111.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 18' ' ' ALA . 1.1 tmtt? -92.56 97.36 10.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 3.94 109.283 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.99 109.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.286 -0.635 . . . . 2.88 109.286 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.536 HG23 HD13 ' A' ' 13' ' ' ILE . 1.6 mt 60.73 142.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 2.08 109.322 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 27' ' ' LYS . 24.3 t -160.99 113.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.44 108.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.886 ' HA ' HG22 ' A' ' 13' ' ' ILE . 13.7 mttt -35.13 144.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 3.71 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.9 m -95.65 135.62 37.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.58 108.358 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.786 ' O ' HG22 ' A' ' 30' ' ' VAL . 16.2 t80 -116.42 128.89 55.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 5.03 110.973 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 72.49 145.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 3.5 109.284 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 30' ' ' VAL . 2.5 tttm 39.2 72.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 4.97 109.29 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 33' ' ' CYS . 12.6 ttpt -42.37 163.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 3.14 109.243 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.745 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 5.0 t -58.16 137.84 84.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 1.3 108.296 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.493 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 -40.82 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.89 110.967 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.6 ptt180 -171.14 140.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 4.24 110.277 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.91 135.52 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 2.64 109.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 100.77 -26.9 22.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.68 111.007 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.745 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -39.61 121.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.56 109.283 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 149.79 49.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 2.37 109.317 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -151.5 -175.1 5.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 2.36 108.235 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -155.57 148.66 24.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 2.91 110.313 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.553 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 35.5 t80 -104.16 108.03 19.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 1.2 111.037 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.822 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.8 OUTLIER -73.01 137.22 45.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 2.38 109.301 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.0 p -101.42 -18.21 16.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.49 110.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.604 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -63.84 -17.25 62.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 7.24 110.996 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 14.0 mttm -146.29 -64.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 3.77 109.291 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.49 44.66 0.76 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 1.33 111.019 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.529 ' HZ3' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -97.73 -11.61 23.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 4.01 109.28 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 55.95 83.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 3.82 108.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -63.96 120.2 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 2.06 110.964 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 3.63 108.335 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.806 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.299 -0.63 . . . . 0.95 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.59 HG22 ' HB3' ' A' ' 41' ' ' GLU . 20.1 m -59.06 145.32 42.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.04 110.358 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -103.37 -160.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.98 111.033 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -158.3 142.77 16.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 2.51 109.329 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.14 -138.05 2.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.41 110.956 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 20.2 mttm -147.16 147.82 30.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 3.71 109.317 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.489 ' C ' ' HG ' ' A' ' 33' ' ' CYS . 12.9 t -123.56 160.25 27.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 3.26 108.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.551 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.8 m-30 -114.76 151.92 32.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 1.85 111.014 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -89.75 -48.26 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 2.37 109.336 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -58.04 -36.3 72.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 4.8 109.287 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.461 ' CB ' HG13 ' A' ' 13' ' ' ILE . 3.6 m-20 -97.99 -20.46 17.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 3.12 109.256 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.551 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 13.8 t30 49.51 53.43 12.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 2.22 109.348 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.763 HG22 ' HA ' ' A' ' 27' ' ' LYS . 1.9 pp -143.97 143.82 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 1.41 109.317 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 4.7 t -99.49 123.23 43.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 1.5 108.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.846 ' HG2' HD12 ' A' ' 25' ' ' ILE . 0.7 OUTLIER -114.94 131.11 57.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 4.46 109.343 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.582 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.2 p90 -156.52 163.85 38.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.06 111.033 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.22 99.75 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 4.33 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 2.05 109.347 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.506 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.25 -0.648 . . . . 2.35 109.25 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.846 HD12 ' HG2' ' A' ' 15' ' ' LYS . 1.1 mm -58.8 139.5 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 2.38 109.293 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -144.93 107.03 4.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 1.99 108.255 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.763 ' HA ' HG22 ' A' ' 13' ' ' ILE . 13.5 mttt -35.58 145.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 3.86 109.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.956 ' SG ' ' HB3' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -88.37 90.17 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.69 108.333 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.791 ' O ' HG22 ' A' ' 30' ' ' VAL . 7.4 t80 -67.75 122.12 17.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 5.04 110.983 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 72.94 146.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 3.34 109.301 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER 37.83 84.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 3.29 109.289 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.27 179.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 2.85 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.893 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -75.25 143.12 76.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 1.56 108.298 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -43.26 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.49 1.784 . . . . 0.87 110.991 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -166.34 136.81 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 3.65 110.343 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.49 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -35.99 136.14 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 2.58 109.276 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 99.8 -25.15 29.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.59 111.038 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.893 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -39.25 120.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.51 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 1.2 ttmt -71.45 149.03 46.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 3.59 109.247 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.418 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -153.76 -178.94 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 2.09 108.333 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.59 ' HB3' HG22 ' A' ' 2' ' ' THR . 5.2 mp0 -144.24 144.33 31.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 2.74 110.26 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.447 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 93.3 t80 -102.26 98.89 8.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.89 111.03 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 46' ' ' LYS . 1.1 p-10 -63.88 121.18 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 4.17 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.806 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 13.4 p -88.51 15.82 7.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 1.28 110.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -101.41 -27.96 12.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 5.67 111.033 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' OD2' ' A' ' 43' ' ' ASP . 16.2 mttp -122.59 -51.83 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 4.25 109.284 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.69 26.37 4.21 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.553 1.158 . . . . 1.05 111.025 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -83.7 -156.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 4.51 109.257 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -156.15 69.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 3.27 108.271 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.417 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 19.9 m-85 -36.57 150.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 2.44 110.99 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.956 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 2.78 108.292 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.6 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.314 -0.624 . . . . 1.07 109.314 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -53.73 161.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.18 110.389 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 0.7 OUTLIER -133.41 120.81 21.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 1.92 110.987 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.99 159.53 32.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 2.29 109.303 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 172.04 -164.76 37.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.72 110.994 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 23.3 mttp -127.22 166.36 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 2.31 109.317 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -130.83 162.65 29.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.03 108.288 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' A' ' 15' ' ' LYS . 7.2 m-85 -122.65 138.13 54.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.33 110.954 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 7.2 ptmt -83.33 -48.81 10.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 2.49 109.306 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.73 -26.56 61.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 4.14 109.337 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.435 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 5.6 m-20 -108.12 -16.64 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 2.32 109.321 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' TYR . 12.4 t30 48.49 62.41 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 2.39 109.339 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.779 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.5 pp -147.82 177.8 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.68 109.266 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.67 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 1.1 t -129.06 112.65 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.27 108.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.569 ' HD2' ' CD1' ' A' ' 8' ' ' TYR . 12.7 mttm -102.2 121.54 42.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 3.21 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.575 ' CD2' ' O ' ' A' ' 17' ' ' LYS . 10.4 p90 -143.28 -149.39 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.8 111.038 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.575 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -117.33 130.68 56.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 4.1 109.268 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 1.64 109.3 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.462 ' C ' ' CG1' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.299 -0.63 . . . . 3.76 109.299 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.471 HG23 HD13 ' A' ' 13' ' ' ILE . 1.7 mt -151.86 154.6 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.76 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 14' ' ' CYS . 20.3 t -155.91 100.02 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 1.66 108.308 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.779 ' HA ' HG22 ' A' ' 13' ' ' ILE . 8.5 mttt -37.88 141.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 3.6 109.335 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 56.4 m -100.42 120.0 39.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 1.33 108.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.513 ' CZ ' ' HG2' ' A' ' 48' ' ' LYS . 8.8 p90 -109.51 136.95 48.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 4.58 110.993 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.599 HG12 ' N ' ' A' ' 31' ' ' LYS . 3.3 t 64.0 -78.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 4.04 109.282 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.599 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -69.82 64.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 4.89 109.279 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.7 mtmt -47.11 164.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 4.08 109.293 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 37.4 t -70.95 137.05 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.2 108.304 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -32.2 5.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.77 110.995 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.459 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 172.56 141.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 5.74 110.294 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.561 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.4 m-20 -41.72 133.11 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 4.23 109.309 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.94 -17.4 59.33 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.78 111.017 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.481 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -53.09 119.11 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.42 109.321 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 7.9 tttt -63.8 147.87 50.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 2.47 109.337 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 1.6 t -157.5 160.91 38.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 2.1 108.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 2.2 pm0 -131.58 130.22 41.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 2.92 110.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.677 ' O ' HG22 ' A' ' 2' ' ' THR . 11.9 t80 -87.5 143.08 27.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.31 110.954 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.616 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 8.2 t70 -103.81 131.44 51.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 3.06 109.303 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.424 ' HG ' ' HE1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -102.77 19.22 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.81 109.994 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.645 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -108.76 -11.6 15.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 5.81 110.976 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -141.4 -47.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 3.45 109.311 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.79 12.89 15.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.96 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 5.5 mtpt -82.9 176.05 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 3.76 109.306 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -124.72 98.3 5.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 2.28 108.269 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -72.18 58.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 1.22 111.008 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 32.9 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 1.99 108.317 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.62 . . . . 1.13 109.327 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.666 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -99.21 141.33 32.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.96 110.386 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 5.7 m-85 -113.24 121.94 45.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.52 111.01 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.03 161.04 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 2.11 109.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -177.27 -143.67 5.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.4 111.025 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' LYS . 12.3 mttp -142.94 156.65 44.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 2.4 109.299 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.514 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 1.1 p -130.75 170.17 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.97 108.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.567 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 3.8 m-85 -141.28 150.36 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 1.96 110.959 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' ASN . 36.7 mttt -76.18 -65.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 4.53 109.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -39.55 -52.3 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 4.19 109.268 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.44 ' CB ' HG13 ' A' ' 13' ' ' ILE . 31.4 m-20 -80.74 -25.25 38.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 3.04 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.567 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 2.2 t30 49.18 48.71 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 3.03 109.316 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.854 HD13 HG23 ' A' ' 25' ' ' ILE . 2.6 pp -131.05 -177.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.94 109.367 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 51.5 t -137.25 108.14 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 1.28 108.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.503 ' HD2' ' CE1' ' A' ' 8' ' ' TYR . 13.6 mtpt -96.66 139.25 33.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 3.29 109.318 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.484 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 3.6 p90 -167.32 172.21 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.98 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -99.27 120.8 40.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 3.27 109.263 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.72 109.282 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' C ' HD12 ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.28 -0.637 . . . . 2.81 109.28 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.854 HG23 HD13 ' A' ' 13' ' ' ILE . 0.9 OUTLIER 61.1 134.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 2.13 109.355 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' LYS . 2.9 t -153.61 106.66 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 1.41 108.286 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.854 ' HA ' HG22 ' A' ' 13' ' ' ILE . 2.6 mtpt -35.01 139.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 4.69 109.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' TYR . 4.9 m -86.82 112.22 21.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 1.36 108.326 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.608 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 1.9 p90 -59.29 -148.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 6.34 110.99 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.608 ' N ' ' CG ' ' A' ' 29' ' ' TYR . 27.0 t -36.45 -63.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 4.3 109.259 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -54.34 90.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 3.64 109.265 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.498 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 29.9 ttmt -64.35 155.4 32.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 2.94 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 49.3 t -69.36 136.72 88.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 1.16 108.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.563 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.02 -36.86 2.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 1.07 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.86 160.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 3.55 110.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.482 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -55.43 135.78 50.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 2.93 109.29 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.21 -22.27 27.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.62 111.051 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.563 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -39.77 119.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 0.46 109.274 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -69.14 148.34 50.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 2.35 109.327 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 23.4 t -155.11 162.01 41.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 2.32 108.332 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.1 pm0 -131.86 134.71 46.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 2.91 110.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -96.86 113.29 24.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.95 110.989 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.666 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.8 t0 -83.84 131.53 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 3.03 109.296 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 p -91.2 -13.03 33.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 1.27 110.031 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.599 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -70.54 -8.13 49.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 6.45 110.997 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 28.1 mttt -148.01 -55.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 3.52 109.335 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.03 19.9 5.81 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 1.05 111.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -87.13 173.06 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 0.725 . . . . 4.5 109.277 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -122.92 97.48 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 2.41 108.293 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -71.46 63.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 1.42 111.022 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 1.63 108.316 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.291 -0.633 . . . . 0.95 109.291 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.518 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -67.67 147.02 53.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.94 110.369 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.45 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 56.3 m-85 -117.11 121.49 41.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 1.51 110.981 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.76 160.36 30.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 2.45 109.314 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 169.22 -165.16 38.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.88 110.994 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -123.82 169.69 11.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 3.72 109.331 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -132.68 159.99 38.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.99 108.319 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.577 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 6.8 m-85 -120.34 141.0 50.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.44 110.963 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -85.21 -48.36 9.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 3.24 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -55.07 -25.23 29.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 3.72 109.317 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' ILE . 33.6 t0 -112.53 -16.18 12.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 3.32 109.297 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.491 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 13.8 t30 48.86 59.04 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 2.18 109.315 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.564 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -140.3 -177.39 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.85 109.25 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.463 ' HG ' ' HG ' ' A' ' 40' ' ' CYS . 2.2 t -136.98 116.93 13.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.16 108.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.937 ' HG2' HD12 ' A' ' 25' ' ' ILE . 26.9 mtpt -105.85 122.41 46.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 2.89 109.29 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.746 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 27.6 p90 -140.98 161.7 37.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 1.38 111.004 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -79.91 134.4 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 3.76 109.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 2.37 109.283 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.809 ' C ' HD13 ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.331 -0.618 . . . . 3.34 109.331 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.937 HD12 ' HG2' ' A' ' 15' ' ' LYS . 2.1 mm -109.15 135.82 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 2.9 109.317 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' LYS . 11.2 t -129.15 100.21 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.84 108.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -38.6 151.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 5.39 109.307 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 65.8 m -75.17 178.91 5.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 1.58 108.343 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.656 ' CD2' HG23 ' A' ' 30' ' ' VAL . 20.0 t80 -179.51 148.03 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 4.66 110.94 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.656 HG23 ' CD2' ' A' ' 29' ' ' TYR . 2.2 t 66.85 -72.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 3.36 109.338 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' TYR . 7.2 mttt -107.87 80.45 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 4.02 109.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -40.43 160.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 2.64 109.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 42.6 t -58.68 135.99 86.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.22 108.277 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.95 -33.97 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.68 110.995 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER 172.66 140.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 5.08 110.298 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 21.0 m-20 -40.35 131.76 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 4.03 109.282 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.93 -17.47 56.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.57 111.006 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -55.7 120.2 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.43 109.27 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 8.5 tmtm? -66.48 147.92 52.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 4.01 109.311 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 5.2 t -159.32 162.42 35.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 2.25 108.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 2.1 pm0 -130.39 132.82 45.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 2.75 110.31 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.746 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 34.1 t80 -93.02 119.19 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 1.03 111.022 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.518 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.0 OUTLIER -80.47 124.3 28.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 2.6 109.289 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.15 21.27 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.4 109.942 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -104.94 -26.28 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 5.48 111.003 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -126.95 -53.5 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 3.97 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.401 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 114.98 19.46 5.97 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.115 . . . . 1.08 110.956 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -179.5 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 3.54 109.33 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 100.89 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 2.64 108.257 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -76.98 54.61 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.48 111.005 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.0 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.57 108.329 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.277 -0.638 . . . . 1.58 109.277 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.509 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -92.52 148.31 22.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 1.37 110.413 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.519 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 4.0 m-85 -115.31 112.46 22.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 1.9 110.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -89.68 136.54 32.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 2.28 109.267 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -162.57 -135.47 1.82 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.49 111.018 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 8.5 mttt -139.44 162.14 35.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 1.84 109.336 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -128.87 172.11 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 108.295 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 5.7 m-85 -137.1 139.31 41.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 1.69 111.005 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.8 mttt -60.72 -72.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 2.92 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -39.74 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 3.05 109.35 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -54.44 -23.63 16.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 2.64 109.308 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 8.0 t30 41.89 60.06 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 2.26 109.299 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.807 HG22 ' HA ' ' A' ' 27' ' ' LYS . 1.2 pp -142.32 -175.9 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.92 109.279 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.472 ' HG ' ' HG ' ' A' ' 40' ' ' CYS . 12.9 t -132.91 112.21 11.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 1.29 108.315 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.664 ' CG ' HG23 ' A' ' 25' ' ' ILE . 7.8 mttm -106.88 139.54 41.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 4.25 109.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.649 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -140.87 -175.99 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 1.21 111.014 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -92.1 29.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 4.05 109.277 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 2.6 109.355 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.605 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.298 -0.63 . . . . 3.15 109.298 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.664 HG23 ' CG ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -112.96 139.18 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 3.27 109.301 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.1 t -127.22 98.87 5.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 2.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.807 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -39.12 142.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 4.88 109.339 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 76.3 m -91.19 125.36 35.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 1.28 108.289 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.523 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 1.3 p90 -111.92 136.01 51.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 5.26 111.033 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 31' ' ' LYS . 22.2 t 63.76 -79.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 3.99 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.585 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 12.3 tttp -70.06 62.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 3.61 109.294 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -43.37 164.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 2.73 109.285 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 41.1 t -68.34 135.95 91.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 1.27 108.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -33.86 4.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.763 . . . . 0.72 111.014 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 0.0 OUTLIER 174.94 147.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 5.82 110.315 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.83 133.07 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 2.48 109.272 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.51 -29.14 12.05 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.46 1.1 . . . . 0.61 111.035 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -39.66 122.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.5 109.283 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -73.17 149.02 43.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 2.47 109.314 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.472 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 4.7 t -160.57 162.04 32.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 2.4 108.276 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -130.93 133.72 46.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 2.65 110.302 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 2' ' ' THR . 34.1 t80 -99.02 120.37 39.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 1.38 111.005 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HA ' HG23 ' A' ' 2' ' ' THR . 6.9 m-20 -86.19 116.33 24.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 2.98 109.33 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.16 4.2 18.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 3.65 109.991 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.503 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 1.9 m-85 -81.49 -44.29 17.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 5.68 110.972 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -113.48 -48.03 2.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 3.89 109.292 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.94 18.52 6.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 1.56 111.01 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HG2' ' CE2' ' A' ' 29' ' ' TYR . 2.9 mtpt -75.78 -170.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 4.82 109.325 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 2.7 t -143.93 92.55 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 2.34 108.318 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.4 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 6.7 m-30 -70.63 77.86 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 1.49 110.983 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 1.86 108.328 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.495 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.305 -0.628 . . . . 1.3 109.305 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.422 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -64.04 133.53 53.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.85 110.383 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 18' ' ' ALA . 89.3 m-85 -100.7 126.16 47.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 2.27 110.964 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.27 152.22 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.8 109.286 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -168.98 -130.53 1.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.55 110.973 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.409 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 30.9 mttt -143.01 160.49 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 2.22 109.332 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 4.4 p -132.66 166.2 22.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 1.05 108.276 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' ASN . 6.6 m-85 -130.74 135.48 47.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 1.59 110.958 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -80.22 -48.84 12.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 2.56 109.325 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -54.73 -26.23 32.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 3.55 109.305 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.685 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -110.08 -14.16 14.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 2.55 109.294 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 10.1 t30 45.0 58.4 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 2.21 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.902 HD13 ' CG2' ' A' ' 25' ' ' ILE . 2.8 pp -139.87 170.29 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.88 109.315 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.828 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -120.54 122.16 39.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 2.13 108.292 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.611 ' CG ' HG23 ' A' ' 25' ' ' ILE . 2.2 mttt -114.45 147.74 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 3.97 109.27 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.708 ' HE1' ' HB3' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -161.48 -172.95 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 1.8 111.022 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.655 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 6.0 ttpt -73.39 -18.14 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 5.24 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 2.95 109.28 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.708 ' HB3' ' HE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.322 -0.622 . . . . 2.53 109.322 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.902 ' CG2' HD13 ' A' ' 13' ' ' ILE . 2.1 mt -118.48 155.15 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 1.91 109.314 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' LYS . 24.0 p -148.95 100.03 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 2.36 108.311 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.882 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -38.57 143.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 4.05 109.302 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.849 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 34.9 m -93.24 123.51 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.39 108.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.581 ' CE1' ' CG2' ' A' ' 30' ' ' VAL . 7.7 p90 -112.46 5.06 17.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 3.98 111.032 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.581 ' CG2' ' CE1' ' A' ' 29' ' ' TYR . 1.8 t -121.23 -142.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 3.19 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.488 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -49.21 93.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 3.96 109.333 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.26 152.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 4.92 109.302 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 2.0 t -57.96 141.85 80.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 1.35 108.325 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.92 -40.75 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.81 110.987 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -174.41 139.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 4.68 110.312 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.452 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -37.34 132.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 2.26 109.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.5 -22.68 36.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.91 111.013 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.508 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -42.3 122.26 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.72 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -65.05 149.99 48.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 2.45 109.315 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER -155.17 176.57 12.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 2.3 108.32 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -141.74 129.04 21.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 2.94 110.284 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.571 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 36.3 t80 -99.37 135.89 40.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.93 110.995 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.576 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . 76.5 m-20 -80.28 130.65 35.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 2.43 109.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.495 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 21.2 p -89.01 59.2 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.91 109.981 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 43' ' ' ASP . 4.7 p90 169.71 -29.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 4.41 110.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 2.9 mttp -85.02 -34.59 22.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 3.44 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.11 16.76 79.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 1.1 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.509 ' HG2' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -104.53 -175.31 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 3.82 109.319 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.646 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -130.69 95.09 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 2.33 108.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -67.66 63.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.46 111.004 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.849 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.8 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 1.6 108.309 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.316 -0.624 . . . . 1.32 109.316 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.619 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -79.41 138.78 37.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 110.379 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.444 ' CB ' ' CD1' ' A' ' 16' ' ' TYR . 26.9 m-85 -108.22 118.68 37.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 1.71 111.001 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.78 160.48 27.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 2.36 109.298 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 167.82 -154.45 24.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.53 110.991 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -125.35 168.14 13.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 2.32 109.291 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 2.0 p -134.73 168.83 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 1.03 108.281 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 12' ' ' ASN . 8.2 m-85 -131.48 137.33 48.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 1.58 110.948 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' CD ' ' HA ' ' A' ' 35' ' ' ARG . 8.9 ptmt -81.13 -52.37 7.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 2.23 109.314 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -51.31 -31.47 21.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 3.99 109.303 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.434 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 15.4 m-20 -104.07 -18.37 14.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 2.14 109.321 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 8.4 t30 50.2 64.51 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 2.29 109.291 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.724 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -154.11 165.78 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.89 109.319 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.36 128.41 50.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 1.26 108.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -113.62 141.99 46.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 3.19 109.327 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.792 ' CE1' ' HB3' ' A' ' 24' ' ' ALA . 50.2 p90 -156.9 166.01 34.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 1.43 110.98 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -78.52 128.14 33.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 4.38 109.313 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.76 109.344 179.954 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.792 ' HB3' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.315 -0.624 . . . . 3.44 109.315 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.54 140.12 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 2.24 109.33 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.9 t -125.13 99.71 6.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 2.22 108.362 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.724 ' HA ' HG22 ' A' ' 13' ' ' ILE . 21.1 mtpt -39.61 145.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 3.25 109.301 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.434 ' SG ' ' CA ' ' A' ' 13' ' ' ILE . 64.2 m -96.28 75.35 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 1.48 108.281 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.619 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 23.5 p90 -103.23 39.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 4.9 111.019 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.619 HG11 ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -158.23 -76.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 3.88 109.264 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.665 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.8 mmtp -106.33 85.9 2.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 4.79 109.324 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -38.88 156.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 4.22 109.304 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 27.6 t -78.37 138.76 59.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.23 108.263 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -33.84 4.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.66 110.978 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 12.3 ptm180 176.96 149.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 4.94 110.298 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -44.75 131.53 6.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 2.55 109.306 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.7 -27.66 18.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.62 110.987 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.475 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.26 121.52 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.52 109.315 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -69.8 148.37 49.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 3.02 109.275 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 14.3 t -167.04 162.08 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 2.4 108.284 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.572 ' HB2' HG22 ' A' ' 2' ' ' THR . 4.8 pt-20 -125.97 145.69 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 3.55 110.268 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.62 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 22.8 t80 -102.64 110.95 23.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.39 111.012 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.619 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.9 OUTLIER -74.21 124.73 26.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 4.08 109.327 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 p -89.57 14.75 10.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 1.55 110.01 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -94.88 -30.09 14.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 5.39 111.03 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -129.95 -46.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 3.86 109.289 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.463 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 111.07 24.73 5.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 1.55 110.973 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.619 ' HG2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.77 174.86 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 4.28 109.298 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -121.21 91.12 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 2.99 108.323 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -67.21 67.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 1.58 110.981 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.665 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 1.8 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 1.93 108.302 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.488 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.292 -0.632 . . . . 0.86 109.292 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.629 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -75.92 124.86 28.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.0 110.391 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 57.7 m-85 -90.56 125.22 35.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.39 110.98 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -83.99 162.41 20.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 2.27 109.289 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 174.53 -142.76 6.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.5 111.014 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -140.43 169.62 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 3.31 109.282 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.5 p -135.07 154.04 51.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 1.08 108.319 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 32.5 m-85 -114.56 133.59 55.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 1.81 111.014 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 3.2 mttt -59.65 -69.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 3.4 109.294 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -41.45 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 5.19 109.353 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.718 ' O ' HG23 ' A' ' 13' ' ' ILE . 46.2 t0 -53.95 -20.63 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.117 . . . . 3.52 109.335 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.674 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 1.6 t30 41.18 64.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 2.19 109.318 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.001 HD13 HG23 ' A' ' 25' ' ' ILE . 1.9 pp -140.93 -174.6 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.95 109.311 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -123.92 102.93 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 1.39 108.329 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -93.0 128.0 38.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 4.73 109.257 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.504 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 3.6 p90 -158.27 175.66 13.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.97 111.018 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -95.75 141.85 28.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 4.39 109.295 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.79 109.319 179.982 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 2.76 109.308 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.001 HG23 HD13 ' A' ' 13' ' ' ILE . 7.0 mt 62.07 135.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 1.64 109.339 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -142.54 110.05 5.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 1.37 108.322 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.943 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -35.57 132.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 4.79 109.257 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 21.5 m -95.21 121.16 36.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 1.43 108.275 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.676 ' CE1' ' CG1' ' A' ' 30' ' ' VAL . 27.5 p90 -116.27 3.56 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 4.3 111.012 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.676 ' CG1' ' CE1' ' A' ' 29' ' ' TYR . 18.9 m -117.01 -137.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 4.1 109.323 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.64 ' N ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -51.74 90.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 3.78 109.33 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -37.84 154.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 4.87 109.307 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 17.0 t -63.87 135.46 96.31 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 1.34 108.269 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -74.98 -31.72 6.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.61 111.007 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 171.84 140.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 5.26 110.242 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.546 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 23.6 m-20 -38.75 130.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 3.78 109.314 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.48 -19.9 48.83 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.65 110.971 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -53.1 120.64 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.42 109.278 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.655 ' HZ3' ' C ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -61.7 149.18 40.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 3.84 109.27 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 4.6 t -158.9 161.74 36.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 2.07 108.317 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.522 ' HB2' HG22 ' A' ' 2' ' ' THR . 6.0 pt-20 -130.02 145.2 51.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 3.6 110.319 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.504 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 44.8 t80 -109.03 112.12 24.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.83 111.035 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.629 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.6 OUTLIER -69.36 130.45 42.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 2.41 109.263 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.488 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 14.6 p -94.34 -21.85 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.18 109.975 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.599 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -64.88 -10.91 32.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 6.84 110.991 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.512 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 24.3 mttm -143.54 -54.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 3.6 109.309 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.47 1.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 1.21 111.017 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -113.14 -178.61 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 3.48 109.294 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.586 ' SG ' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -108.68 131.86 54.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 2.85 108.294 -179.967 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -122.27 50.93 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 1.48 110.983 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 97.6 m . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 2.08 108.33 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.43 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 0.82 109.309 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.584 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -69.81 141.11 53.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.81 110.387 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 22.3 m-85 -108.13 116.16 31.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 1.6 111.004 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.95 146.43 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 1.98 109.317 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -169.72 -133.88 1.66 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.47 111.021 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' LYS . 34.9 mttp -145.39 156.45 43.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 2.06 109.3 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.657 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.7 p -119.9 167.88 11.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 1.15 108.318 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.648 ' HD2' HD11 ' A' ' 13' ' ' ILE . 52.8 m-85 -133.94 130.21 37.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.7 110.984 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.2 mttt -56.97 -70.4 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 3.14 109.3 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' LYS . 12.8 ttpt -39.64 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 4.45 109.293 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.741 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.3 m-20 -52.62 -21.02 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 2.53 109.278 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.572 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 5.8 t30 40.29 63.28 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 2.24 109.283 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.036 HD13 HG23 ' A' ' 25' ' ' ILE . 2.3 pp -140.69 -176.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.91 109.285 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -121.0 105.76 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.77 108.333 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' CG ' HG12 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -94.35 132.42 38.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 5.1 109.34 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.8 p90 -160.71 165.59 30.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.04 110.979 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.59 100.93 12.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 3.05 109.289 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 2.12 109.262 179.978 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.269 -0.641 . . . . 3.0 109.269 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.036 HG23 HD13 ' A' ' 13' ' ' ILE . 52.4 mt 61.6 141.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 2.12 109.284 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.54 ' O ' ' C ' ' A' ' 27' ' ' LYS . 7.1 t -158.06 120.96 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 1.6 108.264 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.973 ' HA ' HG22 ' A' ' 13' ' ' ILE . 12.4 mmtt -29.8 141.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 5.13 109.266 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.1 m -86.51 -179.02 6.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.83 108.35 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.706 ' CD2' HG23 ' A' ' 30' ' ' VAL . 29.8 t80 179.64 162.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 4.4 110.986 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.706 HG23 ' CD2' ' A' ' 29' ' ' TYR . 3.9 t 72.65 -73.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 3.36 109.311 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.31 97.78 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 3.59 109.326 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.16 161.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 4.21 109.333 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 23.1 t -62.35 136.29 95.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.24 108.313 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.535 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -74.99 -33.14 4.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.68 111.026 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 172.68 143.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 5.73 110.313 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.47 138.25 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 2.59 109.281 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.97 -24.11 20.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.11 . . . . 0.54 111.016 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.657 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -45.89 117.89 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.45 109.29 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -61.11 148.35 40.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 3.17 109.289 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.499 ' HG ' ' CB ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -156.04 169.42 24.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 2.5 108.281 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -140.91 127.12 19.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 2.95 110.33 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.414 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 19.9 t80 -94.56 115.92 28.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.22 111.029 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.61 ' OD2' ' CD2' ' A' ' 45' ' ' TYR . 7.1 t70 -75.71 133.02 40.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 3.07 109.307 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.43 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 1.4 p -102.32 17.8 22.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 1.21 110.029 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.646 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -109.64 -15.34 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 5.87 110.99 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -127.93 -51.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 4.23 109.281 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.14 25.66 6.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 1.28 110.966 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.81 174.4 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 3.32 109.281 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.49 101.69 10.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.51 108.314 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -77.71 55.6 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 1.49 110.976 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.0 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 1.63 108.283 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.258 -0.645 . . . . 0.85 109.258 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -59.44 147.01 38.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.76 110.408 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.406 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 92.6 m-85 -116.81 117.95 31.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.59 110.998 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.19 152.22 22.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 1.78 109.303 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -171.42 -129.47 1.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.53 111.01 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 32.7 mttm -145.9 160.94 41.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 1.95 109.255 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 4.3 p -135.92 161.85 34.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.03 108.244 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.636 ' O ' ' N ' ' A' ' 12' ' ' ASN . 4.1 m-85 -129.98 126.73 38.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 1.58 110.973 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.516 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -55.01 -58.06 9.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 2.5 109.279 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 1.3 tptp -43.31 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 4.57 109.28 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.605 ' O ' HG23 ' A' ' 13' ' ' ILE . 2.4 m-20 -62.59 -12.66 24.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 2.38 109.31 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.636 ' N ' ' O ' ' A' ' 8' ' ' TYR . 56.4 t30 37.6 68.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 2.44 109.303 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.766 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.7 pp -145.03 167.03 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.76 109.325 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -117.81 115.58 25.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 1.46 108.304 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HG3' ' CD1' ' A' ' 13' ' ' ILE . 24.0 mttt -99.38 137.41 37.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 3.58 109.292 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.793 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 21.6 p90 -159.13 162.93 36.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.34 110.993 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -66.47 161.31 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 3.45 109.33 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 3.19 109.325 179.964 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.263 -0.643 . . . . 2.9 109.263 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.583 ' CG2' HD13 ' A' ' 13' ' ' ILE . 6.4 mt -113.39 156.48 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.89 109.256 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' CYS . 32.6 t -139.37 103.41 4.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 1.93 108.323 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.766 ' HA ' HG22 ' A' ' 13' ' ' ILE . 6.3 mttt -40.6 148.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 3.41 109.305 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.239 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -84.34 128.24 34.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 1.2 108.289 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.607 ' C ' HG23 ' A' ' 30' ' ' VAL . 9.7 t80 -127.33 150.54 49.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 4.96 111.027 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.607 HG23 ' C ' ' A' ' 29' ' ' TYR . 2.3 t 74.87 -69.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 3.18 109.321 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -123.79 121.2 34.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 4.06 109.319 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -61.02 -177.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 6.05 109.311 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -82.72 145.77 51.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 1.34 108.327 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.516 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.01 -43.48 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.74 111.021 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -172.43 148.74 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 4.85 110.293 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -44.19 135.59 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 2.65 109.318 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.76 -23.74 21.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.147 . . . . 0.76 111.047 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.516 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -40.02 119.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.61 109.265 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 1.4 ttpm? -65.31 146.69 54.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 2.95 109.271 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -158.35 160.49 36.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 2.14 108.273 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -124.08 131.63 53.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 2.79 110.351 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.793 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 38.4 t80 -98.28 113.66 25.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.89 111.033 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.608 ' OD2' ' CD2' ' A' ' 45' ' ' TYR . 9.4 t70 -66.58 130.55 43.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 3.32 109.301 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.1 13.48 29.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.19 110.02 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.634 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -109.17 -24.79 10.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 5.46 111.029 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -120.98 -59.63 1.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 3.63 109.297 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.57 14.07 7.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 1.19 111.039 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -79.12 -168.98 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 3.66 109.288 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.06 98.06 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 2.68 108.244 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -77.26 53.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.67 110.998 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 1.239 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.5 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 1.67 108.324 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.317 -0.623 . . . . 1.71 109.317 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.619 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -67.18 136.95 55.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.01 110.41 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 30.1 m-85 -107.86 114.9 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.85 110.986 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -72.38 162.63 29.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 2.35 109.298 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 167.6 -145.31 9.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.097 . . . . 0.41 111.024 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 72.3 mttt -133.86 160.8 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.76 . . . . 1.94 109.319 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.2 p -121.7 161.84 21.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.07 108.3 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 12.0 m-85 -121.41 137.08 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 1.72 111.044 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 7.2 ptmt -83.69 -48.5 10.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 2.82 109.309 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -58.45 -24.83 61.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 3.37 109.313 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.407 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 7.6 m-20 -110.39 -13.9 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 2.19 109.266 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.523 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 10.6 t30 46.5 59.08 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 2.27 109.286 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.908 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -141.55 178.26 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.94 109.277 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' CB ' ' SG ' ' A' ' 49' ' ' CYS . 2.5 t -132.52 112.67 12.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 1.19 108.298 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -94.01 162.78 13.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 3.49 109.327 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.81 ' CZ ' ' HB3' ' A' ' 24' ' ' ALA . 54.1 p90 -178.31 165.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.4 111.008 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -76.16 126.82 31.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 3.33 109.347 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.71 109.303 -179.97 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.81 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.273 -0.64 . . . . 3.18 109.273 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.445 ' CG2' HD13 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -98.14 147.61 6.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 2.95 109.292 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.462 ' HG ' ' HD1' ' A' ' 42' ' ' PHE . 37.1 t -139.07 101.3 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 1.85 108.283 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.908 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -39.62 145.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 4.96 109.304 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.101 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 61.6 m -92.14 129.01 38.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 1.28 108.317 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CZ ' ' HE2' ' A' ' 48' ' ' LYS . 2.3 p90 -112.43 132.16 55.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 5.73 111.018 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 32' ' ' LYS . 78.9 t 63.92 -78.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 3.88 109.307 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' TYR . 4.3 mtmt -69.22 63.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 4.76 109.31 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.2 ttpt -44.46 161.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 2.63 109.267 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 36.1 t -68.51 136.89 90.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.23 108.282 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -32.72 5.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.75 111.044 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.469 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 1.6 ptp180 171.77 138.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 4.39 110.284 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.6 m-20 -39.5 133.51 1.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 4.05 109.341 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.42 -16.66 59.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.68 110.951 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.519 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -57.05 121.48 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.55 109.33 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 8.7 tttt -61.59 149.85 37.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 3.48 109.304 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.429 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 1.7 p -167.35 -179.46 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 2.28 108.271 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.582 ' HB2' HG22 ' A' ' 2' ' ' THR . 1.7 pt-20 -146.97 140.45 25.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 3.62 110.275 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.757 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 19.2 t80 -96.77 111.74 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.43 110.985 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.619 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.3 OUTLIER -68.8 137.81 54.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 2.33 109.288 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 p -105.15 -25.19 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 1.59 109.979 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.596 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 2.6 p90 -54.13 -22.26 10.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 7.37 111.012 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 2.6 ptmm? -143.87 -45.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 6.13 109.271 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.86 17.05 5.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 1.02 110.993 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HE2' ' CZ ' ' A' ' 29' ' ' TYR . 0.5 OUTLIER -67.01 -165.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.757 . . . . 3.98 109.31 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -147.75 87.79 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 2.34 108.277 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.529 ' CE1' ' OD2' ' A' ' 43' ' ' ASP . 4.4 m-30 -67.09 68.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 1.52 110.982 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 1.101 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.6 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 1.88 108.281 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.503 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 1.22 109.288 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.577 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -92.23 143.85 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.99 110.413 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.503 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 5.1 m-85 -118.66 124.53 47.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 1.58 111.001 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -89.93 161.94 15.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 2.48 109.311 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 175.14 -135.62 3.13 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.47 110.998 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 61.0 mttt -139.64 165.97 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 2.33 109.348 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 2.0 p -136.81 172.04 13.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 1.0 108.326 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.4 m-85 -135.94 133.08 37.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 1.48 111.019 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.47 -48.82 46.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 2.71 109.33 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -53.34 -54.44 36.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 5.19 109.314 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 13' ' ' ILE . 59.9 m-20 -82.46 -8.41 59.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 2.13 109.298 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 10.4 t30 39.6 56.31 2.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 2.39 109.33 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.806 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.7 pp -141.04 171.32 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.72 109.295 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.93 123.64 35.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 1.31 108.335 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -104.63 131.98 51.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 4.03 109.289 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.631 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 40.0 p90 -156.43 166.07 34.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.17 111.001 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -76.41 135.62 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 4.19 109.332 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.77 109.29 -179.992 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.284 -0.635 . . . . 3.0 109.284 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 mt -93.87 134.03 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.94 109.311 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -131.0 97.85 4.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.98 108.28 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.806 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -38.59 144.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 4.69 109.31 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 61.8 m -86.9 115.49 24.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.34 108.274 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.505 ' CD2' HG23 ' A' ' 30' ' ' VAL . 13.9 t80 -102.33 127.86 49.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 5.62 111.013 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.505 HG23 ' CD2' ' A' ' 29' ' ' TYR . 2.2 t 66.26 -73.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 3.24 109.303 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -73.58 61.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 5.41 109.313 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 1.4 ttpt -44.54 159.34 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 2.59 109.332 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.465 ' SG ' ' CA ' ' A' ' 8' ' ' TYR . 27.3 t -67.23 138.94 94.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 1.19 108.271 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -43.38 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.79 110.997 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.3 ptm180 -171.65 144.46 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 5.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -39.47 134.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 2.23 109.308 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 92.8 -24.96 21.58 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.49 1.119 . . . . 0.72 111.033 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.481 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.22 123.58 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 0.745 . . . . 0.58 109.285 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 1.4 tmmt? -71.37 147.67 47.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 2.26 109.285 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 10.8 t -161.42 162.21 30.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 2.31 108.306 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.426 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 1.4 pm0 -126.15 134.17 51.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 2.78 110.337 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.631 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 63.7 t80 -92.71 119.4 32.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.16 110.964 -179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.577 ' HA ' HG23 ' A' ' 2' ' ' THR . 3.0 m-20 -91.47 123.14 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 3.52 109.299 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.3 p -74.3 -16.29 60.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 2.03 110.011 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -54.5 -23.69 17.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 8.01 110.969 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -156.25 -46.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 6.57 109.316 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.544 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 116.39 11.6 9.54 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 2.01 110.994 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 121.31 18.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 6.71 109.312 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -69.06 94.66 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 2.98 108.314 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -71.45 59.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 1.32 110.963 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.3 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 1.62 108.296 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.575 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -71.04 141.38 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.67 110.418 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.575 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 6.5 m-85 -107.65 123.93 49.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.6 110.976 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -91.53 154.12 19.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 2.47 109.321 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -176.43 -140.42 3.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.453 1.095 . . . . 0.48 111.003 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 21.0 mttt -139.51 157.45 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 1.77 109.309 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -125.5 160.57 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.08 108.322 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 6.9 m-85 -115.72 147.0 41.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.4 110.997 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 2.2 ptmt -88.53 -51.49 5.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 2.29 109.277 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -58.21 -21.51 48.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 3.09 109.304 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.433 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -109.99 -24.42 10.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 2.12 109.283 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.587 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 10.5 t30 54.09 53.44 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 2.23 109.324 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.839 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.8 pp -138.17 -179.57 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.81 109.322 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HG ' ' HG ' ' A' ' 40' ' ' CYS . 2.5 t -131.54 125.1 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 1.26 108.316 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HD2' ' CE1' ' A' ' 8' ' ' TYR . 25.9 mttt -108.86 120.93 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 3.59 109.281 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.65 ' CZ ' ' HB3' ' A' ' 24' ' ' ALA . 13.0 p90 -144.77 171.75 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 1.16 110.98 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -77.53 156.3 31.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 3.38 109.279 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.8 109.274 -179.996 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.65 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.277 -0.638 . . . . 3.56 109.277 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.471 HG23 HD13 ' A' ' 13' ' ' ILE . 2.2 mt -103.26 137.52 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 2.3 109.316 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.8 t -137.71 100.13 4.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 1.77 108.333 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.839 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -42.73 143.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 4.32 109.274 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.78 102.17 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.55 108.26 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CE1' ' CG2' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -89.52 20.86 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 4.76 110.991 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.589 ' CG2' ' CE1' ' A' ' 29' ' ' TYR . 1.7 t -131.45 -145.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 3.67 109.302 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -61.07 108.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 4.94 109.324 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 31' ' ' LYS . 15.0 ttpt -35.88 150.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 3.67 109.334 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.832 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -58.63 140.65 85.07 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.35 108.3 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.97 -19.81 17.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 1.18 111.01 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER 166.0 134.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 5.44 110.306 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.571 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -37.24 131.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 4.36 109.328 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.14 -23.78 24.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.54 110.955 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.832 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -45.62 122.97 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.46 109.307 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 2.8 tmmm? -67.18 148.75 51.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 2.25 109.309 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.47 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 1.3 t -159.48 161.49 35.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 2.19 108.332 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -127.35 134.58 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 3.05 110.311 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 1.2 t80 -100.43 127.55 46.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 1.12 111.015 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.61 ' OD1' ' CE2' ' A' ' 50' ' ' TYR . 8.5 m-20 -82.95 136.57 34.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 3.23 109.306 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.05 -15.21 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.66 110.008 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -60.68 -22.67 64.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 7.72 110.992 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.776 ' HD2' ' HZ1' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -151.2 -46.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 4.69 109.262 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.565 ' HA2' ' CZ ' ' A' ' 42' ' ' PHE . . . 126.94 0.53 7.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.47 1.107 . . . . 1.9 111.016 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.776 ' HZ1' ' HD2' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -42.5 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 3.7 109.266 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -125.01 85.48 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 2.14 108.347 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.61 ' CE2' ' OD1' ' A' ' 43' ' ' ASP . 3.6 m-85 -67.73 64.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 1.87 111.007 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 2.25 108.243 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.276 -0.639 . . . . 1.09 109.276 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.512 HG22 ' HB3' ' A' ' 41' ' ' GLU . 1.6 m -51.56 142.4 14.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.07 110.405 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CB ' ' CD1' ' A' ' 16' ' ' TYR . 30.3 m-85 -111.93 114.54 27.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 1.85 110.979 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.644 HD21 ' HE2' ' A' ' 39' ' ' LYS . 2.9 m-20 -89.54 146.32 24.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 2.44 109.313 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -168.97 -116.64 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.73 110.971 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -148.93 163.82 36.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 1.99 109.316 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.624 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 12.2 p -134.25 158.59 43.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 1.09 108.279 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.511 ' O ' ' N ' ' A' ' 12' ' ' ASN . 8.3 m-85 -124.99 131.21 53.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 1.68 110.991 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -71.0 -51.28 26.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 2.55 109.297 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 9.7 ttpt -51.3 -54.18 28.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 3.38 109.365 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.433 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 4.1 m-20 -81.01 -11.53 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 2.06 109.317 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 4.6 t30 40.85 68.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 2.4 109.261 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.871 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.4 pp -152.02 170.87 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.05 109.3 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -122.3 116.37 23.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 1.35 108.3 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -100.95 155.54 17.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 3.01 109.344 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.757 ' CZ ' ' HB3' ' A' ' 24' ' ' ALA . 47.8 p90 -172.13 166.09 6.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 1.59 111.06 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -76.3 124.04 26.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 3.04 109.321 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 1.73 109.278 -179.974 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.757 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.316 -0.624 . . . . 3.22 109.316 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.64 146.97 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 1.84 109.267 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' CD1' ' A' ' 42' ' ' PHE . 49.6 t -128.32 102.04 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.96 108.275 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.871 ' HA ' HG22 ' A' ' 13' ' ' ILE . 21.4 mmmt -39.9 142.85 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 4.81 109.251 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 13' ' ' ILE . 36.8 m -96.03 104.19 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.39 108.322 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.851 ' O ' HG13 ' A' ' 30' ' ' VAL . 2.8 p90 -107.6 35.62 3.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 3.96 110.982 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.851 HG13 ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER 175.28 146.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 2.93 109.348 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' VAL . 2.0 tmtt? 36.5 72.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 6.02 109.27 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -37.53 148.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 2.93 109.314 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -47.48 143.98 5.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 1.27 108.308 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.0 Cg_endo -75.02 -41.49 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.73 110.937 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -174.46 139.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 5.16 110.311 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.64 133.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 2.67 109.286 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.34 -23.95 31.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.76 110.961 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.624 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -45.68 119.62 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.6 109.318 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.644 ' HE2' HD21 ' A' ' 4' ' ' ASN . 0.1 OUTLIER -61.61 148.93 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 2.31 109.297 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 6.2 t -163.31 162.27 25.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 2.22 108.276 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HB3' HG22 ' A' ' 2' ' ' THR . 3.8 mp0 -124.98 143.7 50.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 2.73 110.29 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.63 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 17.3 t80 -107.22 100.4 9.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.55 110.981 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.602 ' OD2' ' CE2' ' A' ' 45' ' ' TYR . 5.1 t70 -62.63 121.19 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 2.88 109.296 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 p -88.08 8.06 28.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 1.41 109.988 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.641 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -98.42 -16.74 19.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 5.74 111.034 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.15 -47.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 4.23 109.267 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.485 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 98.94 21.73 15.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 1.61 110.992 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' CD ' ' OH ' ' A' ' 29' ' ' TYR . 9.7 mtmt -62.69 -110.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 5.78 109.267 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER 163.78 80.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 2.65 108.267 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -65.33 70.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.97 111.008 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' CYS . 3.1 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 3.38 108.299 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.429 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.28 -0.637 . . . . 0.87 109.28 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.698 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -89.77 126.87 35.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.9 110.418 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 2.0 m-30 -96.37 116.2 28.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.8 110.991 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.63 162.01 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 2.08 109.298 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 177.2 -139.28 4.3 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.43 111.033 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' LYS . 48.1 mttm -136.72 155.11 50.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 2.9 109.33 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 40' ' ' CYS . 1.3 p -127.2 159.21 35.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.05 108.292 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.59 ' CD1' HD11 ' A' ' 13' ' ' ILE . 7.0 m-85 -122.51 138.37 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.53 110.977 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.1 ptmt -82.27 -46.03 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 2.17 109.292 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -59.7 -22.3 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 3.06 109.268 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.548 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.9 m-20 -115.97 -8.8 11.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 2.53 109.31 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 8' ' ' TYR . 9.6 t30 38.26 64.76 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 2.26 109.362 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.867 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -139.21 -178.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 1.01 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -133.65 103.51 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 1.86 108.296 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -94.79 140.39 29.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 3.08 109.334 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.553 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -164.12 -169.34 1.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 2.79 110.993 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.9 mttt -122.13 94.01 4.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 3.25 109.337 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 1.79 109.279 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.273 -0.64 . . . . 2.91 109.273 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.561 HG23 ' HG3' ' A' ' 15' ' ' LYS . 0.8 OUTLIER 61.8 129.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.97 109.304 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 t -147.14 105.21 3.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 1.37 108.323 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.867 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -36.06 139.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 5.32 109.337 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 m -90.6 117.33 29.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.36 108.28 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.542 ' CD1' HG13 ' A' ' 30' ' ' VAL . 8.4 p90 -103.66 9.27 37.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 4.28 111.0 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.651 HG23 ' N ' ' A' ' 31' ' ' LYS . 8.1 m -125.79 -143.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 4.2 109.272 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.651 ' N ' HG23 ' A' ' 30' ' ' VAL . 2.4 mtpt -48.39 96.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 3.69 109.318 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.2 ttpt -37.41 153.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 2.9 109.293 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 8.5 t -64.94 140.5 98.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 1.35 108.269 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.05 -36.37 2.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.63 110.948 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 2.6 ptp180 -178.18 152.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 5.61 110.263 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.427 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -48.87 129.0 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 2.34 109.294 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.52 -26.61 23.55 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.528 1.143 . . . . 0.46 110.957 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.484 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.31 122.01 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.42 109.287 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 4.2 tmtt? -63.94 150.15 45.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 2.46 109.288 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.427 ' HG ' ' N ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -156.18 177.84 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 2.43 108.304 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.2 pm0 -153.43 146.89 24.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 3.11 110.283 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -113.58 110.63 20.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.38 110.984 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.698 ' HA ' HG23 ' A' ' 2' ' ' THR . 12.0 t0 -77.12 128.76 35.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 2.86 109.269 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 p -92.3 -8.16 45.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.22 110.037 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.561 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -58.52 -17.55 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 7.04 111.005 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.497 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 17.9 mtpt -142.21 -61.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 3.7 109.331 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.79 42.93 0.25 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.519 1.137 . . . . 1.86 110.963 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -121.67 148.34 44.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 6.31 109.296 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -86.23 105.32 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 1.94 108.268 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -81.1 67.49 7.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.5 111.061 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 2.12 108.282 -179.934 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.596 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 1.18 109.328 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.459 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -63.61 150.5 43.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.78 110.408 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 56.0 m-85 -120.21 123.71 43.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 1.63 110.996 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.616 HD22 ' N ' ' A' ' 4' ' ' ASN . 1.1 m-80 -84.66 144.98 28.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 2.25 109.292 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -168.37 -137.98 2.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.47 111.023 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 29.3 mttp -145.83 159.29 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 3.02 109.313 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.6 p -122.76 166.37 15.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 1.08 108.305 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.573 ' CE1' ' HD2' ' A' ' 15' ' ' LYS . 6.3 m-85 -127.42 136.75 52.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 1.74 110.968 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 35' ' ' ARG . 7.6 ptmt -85.16 -48.83 8.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 3.03 109.284 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -54.37 -28.33 42.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 3.46 109.319 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 15.7 m-20 -110.09 -15.09 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 2.13 109.293 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.472 ' OD1' ' CG ' ' A' ' 32' ' ' LYS . 3.4 t30 49.52 60.53 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 3.14 109.302 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.901 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -144.72 166.28 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.78 109.336 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.524 ' HG ' ' HG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -122.46 118.11 27.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 1.19 108.285 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.683 ' HG2' HG23 ' A' ' 25' ' ' ILE . 5.3 mtpm? -104.47 139.19 39.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 4.15 109.3 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.808 ' CE1' ' CD2' ' A' ' 42' ' ' PHE . 47.5 p90 -152.84 161.3 42.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.61 110.975 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.409 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 9.2 mtpp -75.77 135.83 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 3.28 109.301 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 3.02 109.329 179.955 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.3 -0.629 . . . . 2.8 109.3 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.683 HG23 ' HG2' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -110.71 156.78 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 2.85 109.286 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.99 101.85 3.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.8 108.29 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.901 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -39.9 145.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 3.44 109.308 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.498 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 88.5 m -89.47 85.62 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.53 108.343 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.657 ' O ' HG13 ' A' ' 30' ' ' VAL . 29.2 p90 -107.04 46.2 0.94 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 5.34 110.985 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.915 HG11 ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -165.38 -66.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 3.97 109.28 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' H ' HG23 ' A' ' 30' ' ' VAL . 2.1 mptm? -115.53 105.98 13.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 4.19 109.311 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 12.0 ttpt -50.94 152.46 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 3.69 109.266 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 46.7 t -80.55 134.34 54.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 1.2 108.299 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.492 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -35.15 3.3 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.79 111.029 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.474 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 5.0 ptm180 172.79 144.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 5.31 110.293 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.559 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.5 m-20 -43.69 136.69 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 3.96 109.308 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.05 -17.3 59.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.77 111.005 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.592 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -55.08 118.18 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.65 109.31 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 9.5 tttt -62.08 148.85 42.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 3.47 109.267 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.524 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 1.8 t -160.78 160.73 31.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 2.26 108.265 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -121.23 118.91 30.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 2.77 110.283 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.808 ' CD2' ' CE1' ' A' ' 16' ' ' TYR . 9.0 t80 -84.75 107.34 16.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 1.06 110.992 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.619 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 4.4 t0 -68.31 132.03 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 2.43 109.343 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.572 ' HG ' ' HE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -93.02 -13.28 28.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 2.02 109.993 -179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.619 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -65.21 -9.34 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 7.53 110.988 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HE2' ' CZ ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -159.32 -44.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 3.82 109.328 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 110.87 21.17 6.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 1.4 111.0 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.915 ' CE ' HG11 ' A' ' 30' ' ' VAL . 1.3 tttt -66.36 -167.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 5.11 109.245 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -140.59 90.45 2.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 2.75 108.283 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -76.72 60.9 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 1.59 110.988 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.498 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.9 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 1.8 108.272 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.546 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.341 -0.614 . . . . 1.08 109.341 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 141.24 48.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 1.01 110.38 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.546 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 10.7 m-85 -109.17 117.73 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 1.71 110.975 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.12 149.92 24.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 2.22 109.295 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -178.16 -134.04 2.0 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.57 110.991 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 16.0 mttp -141.84 161.75 37.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 2.49 109.289 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.488 ' C ' ' HG ' ' A' ' 33' ' ' CYS . 3.8 p -132.47 155.53 48.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.97 108.286 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 12' ' ' ASN . 15.5 m-30 -114.62 135.22 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 2.57 110.989 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.7 ptmt -81.56 -46.27 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 2.1 109.319 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -56.96 -29.96 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 4.18 109.308 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 13' ' ' ILE . 9.5 m-20 -107.52 -11.72 15.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 2.5 109.281 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 8' ' ' TYR . 15.0 t30 46.2 59.43 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 2.29 109.283 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.948 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.8 pp -144.63 161.14 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 1.02 109.311 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.52 132.27 55.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.28 108.289 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.81 173.44 9.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 5.02 109.279 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.482 ' CE1' ' HB3' ' A' ' 24' ' ' ALA . 21.1 p90 176.46 -169.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 1.35 110.974 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.47 120.82 41.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 5.46 109.319 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.85 109.281 -179.969 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.482 ' HB3' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.244 -0.651 . . . . 3.15 109.244 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.3 mt -105.65 147.78 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 1.62 109.297 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -142.74 108.75 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.63 108.291 179.97 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.948 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -38.1 144.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 4.92 109.32 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.418 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 14.3 m -97.61 126.12 42.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.37 108.354 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.608 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -82.65 -143.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 6.86 110.984 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.608 ' N ' ' CG ' ' A' ' 29' ' ' TYR . 77.2 t -31.98 -85.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 4.18 109.253 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.3 93.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 4.37 109.28 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' VAL . 14.7 ttpt -74.5 162.72 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 2.97 109.321 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.488 ' HG ' ' C ' ' A' ' 7' ' ' CYS . 2.4 t -74.3 141.86 77.76 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 1.25 108.319 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.5 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -37.87 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.519 1.799 . . . . 0.89 110.974 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -178.56 147.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 4.43 110.305 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -44.85 127.98 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 2.67 109.312 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.67 -18.25 53.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.95 111.011 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.5 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -49.57 119.36 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.77 109.309 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 15.4 ttmt -63.93 147.95 50.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 3.58 109.314 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.428 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 8.7 p -162.59 167.31 23.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 1.94 108.239 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -133.21 123.79 26.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 2.92 110.307 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE1' ' HA2' ' A' ' 47' ' ' GLY . 9.4 t80 -88.89 115.99 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 1.02 110.967 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.49 ' HB3' ' CD2' ' A' ' 45' ' ' TYR . 1.6 m-20 -74.52 117.54 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 3.01 109.334 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.471 ' HG ' ' HE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -78.91 2.0 21.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 3.2 109.973 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.49 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 3.4 m-85 -75.12 -45.94 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 5.19 110.995 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.52 -43.03 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 3.5 109.292 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 115.61 18.65 6.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 1.59 110.979 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -71.73 174.24 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 4.35 109.289 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.5 OUTLIER -122.16 121.04 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 3.54 108.293 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -108.07 77.49 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.83 110.994 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.89 108.318 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.92 109.312 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.545 HG22 ' HB2' ' A' ' 41' ' ' GLU . 1.2 m -71.53 141.84 50.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.77 110.394 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.45 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 67.4 m-85 -111.25 117.6 33.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.49 111.001 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.83 141.83 35.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 2.1 109.357 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -167.95 -155.87 9.71 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.8 110.985 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 12.3 mttt -128.39 166.92 17.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 1.97 109.292 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -132.62 172.39 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.99 108.294 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.52 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 7.8 m-85 -137.78 135.92 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.59 110.99 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -58.46 -71.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 3.11 109.348 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' LYS . 2.6 ttmm -39.35 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.23 109.317 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.589 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -52.5 -21.4 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 2.42 109.285 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 7.0 t30 40.35 63.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 2.23 109.359 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.979 HD13 HG23 ' A' ' 25' ' ' ILE . 2.8 pp -141.49 -174.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.95 109.286 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' CYS . 2.6 t -135.76 107.72 7.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.24 108.288 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.457 ' HG3' ' CD1' ' A' ' 13' ' ' ILE . 48.2 mttt -89.2 130.13 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 3.26 109.293 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.758 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 4.9 p90 -149.62 162.91 39.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.46 111.017 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -70.36 153.35 43.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 2.85 109.318 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 3.21 109.286 179.982 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.279 -0.638 . . . . 2.48 109.279 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.979 HG23 HD13 ' A' ' 13' ' ' ILE . 5.1 mt -108.33 148.01 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 2.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -133.5 102.56 5.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.99 108.304 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.921 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -39.74 146.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 5.68 109.301 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 7.6 m -80.05 -177.74 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 1.76 108.268 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.881 ' CD2' HG23 ' A' ' 30' ' ' VAL . 18.6 t80 179.37 155.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 4.57 111.003 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.881 HG23 ' CD2' ' A' ' 29' ' ' TYR . 17.4 t 66.13 -74.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 3.51 109.315 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' TYR . 7.1 mmtt -114.54 90.25 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 5.02 109.324 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -42.71 163.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 3.75 109.269 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 39.3 t -58.43 136.34 85.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 1.26 108.346 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.96 -34.27 4.0 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.67 111.02 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 176.06 144.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 4.39 110.276 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.28 134.33 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.42 1.075 . . . . 2.43 109.26 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 94.98 -26.8 17.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.54 111.011 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.479 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -39.99 121.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.44 109.324 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 20.1 ttpt -69.21 147.74 50.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 2.3 109.298 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 17.0 t -159.95 162.0 34.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 2.38 108.27 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.545 ' HB2' HG22 ' A' ' 2' ' ' THR . 0.4 OUTLIER -128.61 131.67 48.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 2.87 110.294 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.758 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 51.8 t80 -93.87 105.71 17.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.93 111.031 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.464 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.8 OUTLIER -67.09 119.38 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 4.03 109.296 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.59 2.61 24.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.35 109.977 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 43' ' ' ASP . 2.3 m-85 -74.64 -37.71 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 5.17 110.998 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -129.59 -50.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 3.04 109.296 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.523 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 118.53 35.21 1.01 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 1.13 111.002 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -94.42 -172.21 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 3.35 109.279 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.88 104.29 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 2.89 108.319 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -84.25 46.7 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 2.44 111.028 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.5 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 1.98 108.282 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.674 ' HB3' ' HE1' ' A' ' 45' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.264 -0.643 . . . . 1.56 109.264 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.701 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -72.66 122.16 20.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.99 110.375 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 18' ' ' ALA . 6.5 m-85 -88.17 118.0 27.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 1.66 111.013 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -88.7 160.49 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 2.29 109.281 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.98 -135.89 2.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.45 111.005 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 73.6 mttt -152.58 148.43 27.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 1.89 109.305 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.495 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 13.0 t -123.46 154.71 38.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 3.25 108.324 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.837 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.6 m-30 -117.42 123.89 47.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 2.2 110.998 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.457 ' N ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -46.36 -60.86 2.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 2.57 109.299 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -45.11 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 3.66 109.299 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.687 ' O ' HG23 ' A' ' 13' ' ' ILE . 27.2 m-20 -62.77 -13.2 30.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 2.65 109.321 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.837 ' N ' ' O ' ' A' ' 8' ' ' TYR . 46.7 t30 31.93 61.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 2.99 109.292 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.936 ' O ' HD12 ' A' ' 13' ' ' ILE . 1.8 pp -138.92 145.16 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.17 109.315 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 0.5 OUTLIER -82.2 94.04 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.72 108.321 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.446 ' HG2' ' CG1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -88.77 108.05 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 4.31 109.322 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.522 ' OH ' ' CD1' ' A' ' 42' ' ' PHE . 55.4 p90 -153.45 -179.61 7.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.19 111.049 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.664 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 1.2 mmpt? -77.0 -128.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 3.28 109.319 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 2.69 109.333 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.302 -0.629 . . . . 2.71 109.302 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.718 HG23 HD13 ' A' ' 13' ' ' ILE . 10.1 mt 72.18 138.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 1.61 109.266 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' LYS . 48.8 t -159.09 112.07 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 1.52 108.283 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.835 ' HA ' HG22 ' A' ' 13' ' ' ILE . 3.0 mtpt -37.06 141.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 4.58 109.315 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.09 89.84 8.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.58 108.292 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 5.3 p90 -59.64 130.85 48.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 5.2 111.005 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.631 HG12 ' N ' ' A' ' 31' ' ' LYS . 6.3 t 59.74 -84.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 4.53 109.268 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.631 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -42.96 164.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 4.51 109.313 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -139.2 150.06 45.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 2.7 109.332 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.872 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -79.07 140.72 57.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 1.6 108.288 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.491 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.01 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.98 110.997 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -167.51 142.68 3.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 3.84 110.265 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.74 139.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 2.81 109.297 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 95.96 -25.59 24.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.55 111.043 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.872 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -38.64 115.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.44 109.279 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.83 148.86 37.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 2.3 109.309 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.48 157.77 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 2.48 108.291 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.402 ' HB2' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER -130.59 150.67 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 4.79 110.288 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.522 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 64.6 t80 -117.48 107.73 14.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.91 110.993 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.701 ' HA ' HG23 ' A' ' 2' ' ' THR . 3.4 t70 -68.85 122.86 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 2.86 109.307 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -91.98 17.33 9.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 1.45 110.01 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.674 ' HE1' ' HB3' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -107.0 -17.28 14.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 6.44 111.002 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -123.24 -56.66 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 4.46 109.326 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.91 28.71 2.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.446 1.091 . . . . 1.57 111.03 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.0 mtmm -109.7 171.06 7.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 3.46 109.312 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.64 99.09 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 2.36 108.329 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -73.98 82.89 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 1.35 110.98 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.97 108.301 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.285 -0.635 . . . . 1.3 109.285 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.84 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -98.67 124.23 43.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.98 110.348 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.607 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -93.06 124.72 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.73 111.007 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -89.66 164.41 14.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 2.15 109.297 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.83 -141.15 5.49 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.45 111.03 179.937 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 18.3 mttt -142.23 159.98 41.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 1.83 109.258 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -132.15 153.98 49.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 1.12 108.279 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.521 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 18.2 m-30 -114.49 153.6 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 2.07 110.999 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -93.48 -48.04 6.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 2.47 109.304 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -55.51 -26.13 41.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 3.42 109.234 -179.956 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.757 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -113.91 -12.57 12.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 2.25 109.296 -179.964 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 34.5 t30 42.81 60.41 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 2.52 109.285 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.983 HD13 HG23 ' A' ' 25' ' ' ILE . 2.7 pp -135.85 -179.4 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.83 109.299 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 6.9 t -134.65 104.62 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.31 108.272 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 8' ' ' TYR . 10.6 ptmt -97.4 128.47 44.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 3.69 109.298 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.564 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.4 p90 -156.59 174.64 15.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.09 110.992 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.05 99.73 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 4.01 109.282 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.512 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 1.83 109.355 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 2.69 109.309 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.983 HG23 HD13 ' A' ' 13' ' ' ILE . 2.7 mt 61.11 138.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 2.02 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' LYS . 27.4 t -156.08 112.45 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.45 108.287 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.718 ' HA ' HG22 ' A' ' 13' ' ' ILE . 27.7 mttt -33.14 139.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 3.6 109.284 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -67.08 -165.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.95 108.281 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -126.23 -159.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 4.11 110.98 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.587 HG23 ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -39.45 -75.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 4.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.587 ' H ' HG23 ' A' ' 30' ' ' VAL . 15.8 mttt -62.03 91.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 3.7 109.263 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 14.7 mtmt -48.62 173.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 3.59 109.299 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -74.78 143.26 78.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.38 108.29 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.467 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.2 Cg_endo -75.02 -44.03 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.89 110.997 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.9 OUTLIER -170.18 137.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 5.27 110.303 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.517 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.94 131.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 2.43 109.296 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 107.17 -26.83 17.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.72 111.005 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.549 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -38.3 120.32 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.63 109.346 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 151.05 47.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 3.39 109.335 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 1.3 p -155.25 174.41 15.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 2.24 108.298 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.2 pm0 -146.61 133.9 20.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 2.93 110.335 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.434 ' CD2' ' OH ' ' A' ' 16' ' ' TYR . 55.3 t80 -94.93 107.54 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.09 110.981 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.84 ' HA ' HG23 ' A' ' 2' ' ' THR . 4.2 t0 -78.32 136.44 37.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 3.05 109.347 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 p -98.5 -10.34 23.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 1.37 109.958 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.6 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -65.86 -10.92 42.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 6.59 111.025 179.983 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 22.0 mttt -149.41 -55.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 3.33 109.334 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.87 34.05 1.44 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 1.31 111.043 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.443 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -86.94 -157.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 3.68 109.291 -179.948 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.766 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -152.91 85.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.99 108.284 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -67.6 82.84 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 1.36 111.027 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.1 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 2.01 108.284 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.778 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -82.28 138.8 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.92 110.398 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 9.8 m-85 -110.61 117.38 33.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 1.68 111.0 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -88.94 157.43 18.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 2.51 109.309 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -179.78 -129.14 1.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.51 110.976 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 13.5 mttt -142.57 168.64 19.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 0.788 . . . . 2.33 109.316 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.6 p -140.84 155.01 46.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 1.03 108.299 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.741 ' HD2' HD11 ' A' ' 13' ' ' ILE . 38.0 m-85 -117.39 125.95 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 2.04 111.017 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -65.18 -48.64 72.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 2.58 109.349 179.949 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 2.9 tttm -51.99 -60.0 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 3.36 109.308 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.943 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.7 m-20 -78.97 -3.85 47.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 2.62 109.322 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.592 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.3 t30 36.83 58.96 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 2.25 109.319 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.943 HG23 ' O ' ' A' ' 11' ' ' ASP . 2.6 pp -136.79 179.29 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.75 109.35 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.84 114.22 14.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.28 108.272 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.621 ' HD2' ' CE2' ' A' ' 8' ' ' TYR . 6.7 ptmm? -95.54 124.03 39.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 4.67 109.306 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.604 ' CD2' ' O ' ' A' ' 17' ' ' LYS . 18.2 p90 -150.52 173.26 14.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.26 110.978 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.604 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 4.6 mttt -72.23 163.26 28.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 3.38 109.309 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.727 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 3.62 109.277 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.727 ' HB2' ' HB2' ' A' ' 18' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.314 -0.625 . . . . 2.84 109.314 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.776 ' CG2' HD13 ' A' ' 13' ' ' ILE . 2.0 mt -104.23 136.89 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.63 109.305 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' LYS . 26.3 p -132.66 109.23 9.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 2.74 108.338 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.845 ' HA ' HG22 ' A' ' 13' ' ' ILE . 23.8 mtmt -39.11 154.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 3.43 109.276 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.062 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.7 m -95.65 151.38 19.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.16 108.289 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -86.64 -166.29 1.52 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 4.14 110.986 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -36.47 -54.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 4.9 109.311 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.35 79.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 4.58 109.331 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' VAL . 18.6 ttpt -54.52 155.19 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 3.29 109.342 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 8' ' ' TYR . 1.7 m -66.56 150.04 97.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 2.87 108.298 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.05 -46.19 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.8 110.954 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.478 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.7 ptt85 -172.95 138.07 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 3.82 110.277 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.478 ' C ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -33.35 135.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 2.26 109.343 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.35 -25.29 25.12 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.67 111.01 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -40.67 121.62 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 0.738 . . . . 0.52 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 16.4 ttpt -66.83 146.35 54.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 2.47 109.306 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 1.3 p -153.49 179.37 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 2.21 108.288 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.0 pm0 -147.8 139.86 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 3.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CD1' ' CD2' ' A' ' 3' ' ' TYR . 33.4 t80 -103.57 108.24 19.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 1.16 111.002 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.778 ' HA ' HG23 ' A' ' 2' ' ' THR . 4.4 t0 -74.71 132.45 41.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 2.8 109.298 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 p -95.44 -1.03 51.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 1.34 109.992 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -72.09 -13.67 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 7.35 111.027 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 21.4 mttt -147.9 -62.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 3.34 109.293 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.59 41.21 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 1.45 110.999 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -161.48 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 4.46 109.348 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' CYS . 12.5 t -140.56 90.3 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 2.25 108.29 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.07 59.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.21 110.992 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 1.062 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 4.4 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 2.23 108.296 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 0.89 109.3 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.644 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -80.69 145.56 31.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 110.413 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 10.9 m-85 -117.99 116.31 26.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 1.61 110.995 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.411 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -86.01 155.94 20.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.97 109.325 179.952 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -173.04 -136.89 2.26 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.51 111.016 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 32.6 mttt -144.55 158.98 43.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.787 . . . . 2.07 109.283 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.5 p -131.94 171.87 13.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.04 108.329 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.555 ' HD2' HD11 ' A' ' 13' ' ' ILE . 77.9 m-85 -139.05 134.85 33.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 2.18 110.976 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.4 mttt -56.58 -72.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 3.74 109.294 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -38.4 -77.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 4.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.795 ' O ' HG23 ' A' ' 13' ' ' ILE . 54.6 m-20 -51.34 -22.18 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 2.38 109.316 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 6.0 t30 41.27 61.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 2.26 109.305 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.856 HD13 HG23 ' A' ' 25' ' ' ILE . 2.0 pp -138.9 177.95 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.83 109.285 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.317 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 24.3 t -129.84 99.72 5.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 1.16 108.249 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 25' ' ' ILE . 0.4 OUTLIER -93.52 137.27 32.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 3.05 109.291 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 3.0 p90 -165.51 -176.58 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 1.06 110.984 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -108.59 111.14 22.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 4.13 109.322 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 1.81 109.259 -179.944 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.297 -0.631 . . . . 2.68 109.297 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.856 HG23 HD13 ' A' ' 13' ' ' ILE . 4.3 mt 61.19 139.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.96 109.315 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 27' ' ' LYS . 35.2 t -157.62 115.31 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 1.71 108.296 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.745 ' HA ' HG22 ' A' ' 13' ' ' ILE . 5.6 mtpt -35.74 136.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 4.54 109.294 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.41 ' SG ' ' C ' ' A' ' 13' ' ' ILE . 58.5 m -89.34 131.22 35.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.42 108.306 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.51 ' CZ ' ' HG2' ' A' ' 48' ' ' LYS . 2.9 p90 -114.33 133.55 55.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 4.42 110.993 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.597 HG12 ' N ' ' A' ' 31' ' ' LYS . 3.2 t 64.09 -78.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 3.85 109.293 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.597 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -68.79 65.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 4.57 109.299 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -50.06 164.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 3.36 109.29 -179.978 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.494 ' SG ' ' CA ' ' A' ' 8' ' ' TYR . 36.2 t -69.7 135.86 88.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.27 108.298 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.581 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -35.12 3.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 1.01 111.007 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.517 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 10.2 ptt180 179.32 145.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 4.73 110.276 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.486 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.73 135.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 2.94 109.273 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 88.62 -23.84 14.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.6 111.004 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.581 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -39.29 121.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.776 . . . . 0.44 109.318 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -70.27 147.82 49.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 2.24 109.323 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 1.219 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 40.1 t -153.66 161.98 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 2.24 108.313 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -131.49 135.3 46.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 2.71 110.278 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -98.86 110.95 23.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.96 110.979 -179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.644 ' HA ' HG23 ' A' ' 2' ' ' THR . 2.3 t0 -77.0 134.03 38.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 2.9 109.297 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.5 p -95.4 -11.72 27.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.2 109.972 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -63.85 -10.81 22.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 6.86 110.977 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 11.1 mttt -147.4 -56.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 3.26 109.279 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.78 42.39 0.8 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 1.31 111.011 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -104.63 -161.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 3.23 109.271 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -139.24 94.83 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 2.1 108.302 179.947 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 10.9 m-85 -77.57 52.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.2 110.978 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 1.317 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 82.4 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 2.9 108.315 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.485 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.265 -0.643 . . . . 0.89 109.265 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.71 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.3 m -82.99 146.88 28.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.79 110.416 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.503 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 1.8 m-30 -106.51 177.41 4.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.64 110.997 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.77 151.09 44.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 2.34 109.274 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.28 -143.33 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 0.41 110.99 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' LYS . 48.0 mttt -143.88 146.25 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 1.98 109.33 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.9 p -117.23 153.27 33.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 1.13 108.304 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 12' ' ' ASN . 8.1 m-30 -113.83 139.11 49.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 2.18 110.986 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -78.35 -47.32 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 2.54 109.306 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -52.84 -39.98 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 2.97 109.322 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.672 ' O ' HG23 ' A' ' 13' ' ' ILE . 87.6 m-20 -101.91 -5.54 24.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 2.24 109.336 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 8' ' ' TYR . 22.2 t30 38.96 51.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 2.58 109.308 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.01 HD13 HG23 ' A' ' 25' ' ' ILE . 2.8 pp -135.36 154.38 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.89 109.315 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 9.0 t -102.2 108.64 20.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.29 108.308 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -94.69 129.85 41.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 3.82 109.326 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 2.1 p90 -164.96 158.49 17.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 1.13 110.995 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.747 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 24.4 mmtt -56.59 -103.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 4.02 109.325 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 1.87 109.258 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.291 -0.633 . . . . 2.97 109.291 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.01 HG23 HD13 ' A' ' 13' ' ' ILE . 8.7 mt 61.21 142.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 1.75 109.282 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' CYS . 35.4 t -157.04 103.97 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 1.33 108.279 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.823 ' HA ' HG22 ' A' ' 13' ' ' ILE . 19.4 ttpt -36.36 151.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 4.01 109.307 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.17 100.54 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.31 108.289 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.556 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -92.56 12.39 23.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 3.92 111.022 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.689 HG21 ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -114.87 -104.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 4.44 109.311 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.495 ' H ' HG23 ' A' ' 30' ' ' VAL . 1.9 ttmt -106.98 124.58 49.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 3.53 109.263 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.499 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 11.5 ttpt -39.6 148.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 4.19 109.312 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.437 ' N ' ' HG2' ' A' ' 32' ' ' LYS . 3.5 m -70.16 148.09 95.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 2.98 108.308 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.518 ' HG2' ' HB2' ' A' ' 38' ' ' ALA . 18.0 Cg_endo -75.07 -50.4 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.769 . . . . 0.67 111.02 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.9 ptt180 -169.25 142.28 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 3.63 110.267 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.468 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.35 125.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 2.78 109.323 179.935 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.81 -24.1 20.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.51 110.975 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.518 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . . . -42.61 117.35 1.01 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 0.732 . . . . 0.44 109.285 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 4.4 tttt -58.98 149.25 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 2.89 109.253 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.425 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 25.1 t -159.38 161.97 35.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 2.17 108.331 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 1.3 pm0 -138.51 137.81 37.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 2.88 110.307 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CD1' ' CE2' ' A' ' 3' ' ' TYR . 22.1 t80 -97.78 118.62 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.08 111.023 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.71 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.1 m-20 -84.63 135.28 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 2.82 109.305 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.0 p -96.02 11.33 34.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 1.32 110.012 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -84.8 -34.67 22.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 5.51 110.997 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HE3' ' HZ2' ' A' ' 48' ' ' LYS . 14.0 mtmt -131.87 -45.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 3.19 109.283 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.86 19.04 5.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.99 110.974 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HZ2' ' HE3' ' A' ' 46' ' ' LYS . 39.3 mttt -68.78 -167.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 4.5 109.303 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.689 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -144.39 89.54 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 2.13 108.322 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 36.4 m-85 -66.69 68.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.5 111.004 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 49' ' ' CYS . 6.9 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.81 108.353 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.287 -0.635 . . . . 1.36 109.287 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.915 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -97.02 121.74 39.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.94 110.439 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 21.1 m-85 -83.7 122.43 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 1.71 110.999 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.5 160.01 20.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 2.25 109.307 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.97 -154.78 14.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.74 111.004 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.403 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 31.2 mttt -138.49 156.96 47.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 2.22 109.274 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -127.98 151.87 48.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 1.14 108.324 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.568 ' CE2' ' HE3' ' A' ' 15' ' ' LYS . 17.2 m-30 -115.19 146.07 41.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 2.12 110.974 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.477 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -83.99 -45.84 12.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 2.16 109.327 179.968 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 1.6 tttt -58.27 -25.37 61.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 4.24 109.307 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.822 ' O ' HG23 ' A' ' 13' ' ' ILE . 6.2 m-20 -113.71 -11.21 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 2.38 109.317 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.522 ' OD1' ' CG ' ' A' ' 32' ' ' LYS . 4.9 t30 39.39 56.03 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 2.94 109.285 -180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.005 HD13 HG23 ' A' ' 25' ' ' ILE . 2.9 pp -133.6 172.89 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.8 109.265 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -125.33 104.09 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 1.94 108.304 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.568 ' HE3' ' CE2' ' A' ' 8' ' ' TYR . 9.3 ptpt -97.23 136.25 38.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 3.02 109.304 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.651 ' CE2' ' CB ' ' A' ' 42' ' ' PHE . 3.7 p90 -171.23 172.25 5.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.12 110.964 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 3' ' ' TYR . 9.7 mmmt -96.61 134.32 40.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 3.46 109.264 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 2.74 109.327 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.281 -0.637 . . . . 2.63 109.281 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.005 HG23 HD13 ' A' ' 13' ' ' ILE . 2.1 mt 61.49 135.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.81 109.296 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.512 ' O ' ' C ' ' A' ' 27' ' ' LYS . 10.6 t -155.75 111.17 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 1.51 108.275 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.696 ' HA ' HG22 ' A' ' 13' ' ' ILE . 13.9 mttt -31.49 143.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 4.09 109.302 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 49.8 m -78.29 84.25 4.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.57 108.316 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.729 ' C ' HG13 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -59.12 117.6 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 6.18 111.024 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.729 HG13 ' C ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 68.62 146.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 3.77 109.336 -179.959 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.21 -177.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 4.84 109.267 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.522 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 17.9 ttmt -138.99 146.5 40.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 3.72 109.289 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.564 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -62.79 143.61 96.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 1.39 108.317 179.981 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.3 Cg_endo -75.0 -45.86 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 0.93 110.989 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER -168.6 139.05 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 4.52 110.282 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.479 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.23 125.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 2.61 109.305 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 113.13 -24.63 12.37 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.48 1.113 . . . . 0.76 110.964 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.564 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -38.36 121.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.735 . . . . 0.69 109.312 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 152.68 25.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 3.33 109.28 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 49' ' ' CYS . 5.5 p -155.55 174.93 14.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 2.32 108.271 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -156.53 132.71 9.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 2.82 110.316 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.651 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 56.3 t80 -100.44 94.81 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.93 111.029 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.915 ' HA ' HG23 ' A' ' 2' ' ' THR . 3.6 m-20 -56.91 116.35 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 2.86 109.279 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.3 p -74.83 -1.32 21.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.53 109.96 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.493 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -79.7 -22.34 43.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 6.1 111.04 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -140.07 -47.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 3.49 109.323 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.563 ' HA2' ' CZ ' ' A' ' 42' ' ' PHE . . . 108.37 50.54 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.113 . . . . 1.23 111.01 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.584 ' CD ' ' CE2' ' A' ' 29' ' ' TYR . 13.7 mmtp -83.52 -105.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 3.44 109.323 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 29' ' ' TYR . 1.8 p 158.15 -25.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 3.77 108.298 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.473 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 64.5 m-85 37.5 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 1.83 110.965 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 2.18 108.313 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.318 -0.623 . . . . 1.08 109.318 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.594 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -85.47 138.37 32.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.95 110.368 -179.933 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.497 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 7.7 m-30 -88.28 -176.64 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 2.03 110.996 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -148.49 140.82 24.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 2.24 109.311 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -169.92 -142.21 3.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.13 . . . . 0.42 110.963 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' LYS . 21.1 mttm -135.8 159.27 42.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 1.93 109.343 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.439 ' CB ' ' HG ' ' A' ' 51' ' ' CYS . 2.1 p -132.35 152.05 51.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 1.0 108.333 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 12' ' ' ASN . 18.6 m-30 -115.19 139.09 50.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 1.86 110.991 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -80.21 -47.76 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 2.4 109.289 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.31 -29.05 63.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 4.04 109.32 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.796 ' O ' HG23 ' A' ' 13' ' ' ILE . 5.2 m-20 -107.96 -10.57 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 2.05 109.347 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 8.5 t30 42.36 54.84 4.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 2.42 109.351 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.071 HD13 HG23 ' A' ' 25' ' ' ILE . 2.7 pp -137.21 169.36 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.66 109.345 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 1.8 t -126.19 103.81 7.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.27 108.24 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HD2' ' CZ ' ' A' ' 8' ' ' TYR . 3.0 ptmt -96.06 129.24 43.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 3.26 109.28 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.574 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.1 p90 -154.39 179.54 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.17 111.014 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.18 99.39 8.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 3.04 109.286 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.49 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 1.84 109.307 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.299 -0.63 . . . . 2.59 109.299 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.071 HG23 HD13 ' A' ' 13' ' ' ILE . 4.4 mt 60.59 136.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 1.71 109.324 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 27' ' ' LYS . 2.0 t -153.34 104.45 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.38 108.319 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.775 ' HA ' HG22 ' A' ' 13' ' ' ILE . 4.6 mtpt -36.63 138.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 5.34 109.276 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -86.87 124.23 32.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 2.16 108.344 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.689 ' CD1' HG23 ' A' ' 30' ' ' VAL . 1.4 p90 -112.67 13.41 19.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 4.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.689 HG23 ' CD1' ' A' ' 29' ' ' TYR . 79.6 t -119.23 -104.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 3.56 109.304 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.641 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -94.06 98.65 11.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 3.44 109.27 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -36.64 149.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 3.65 109.3 179.947 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 2.1 t -60.77 139.54 93.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 1.36 108.324 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.523 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.96 -46.63 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.533 1.807 . . . . 0.72 111.017 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.1 ptt180 -164.31 136.86 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 3.73 110.264 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -36.12 130.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 2.38 109.303 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.25 -26.22 24.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.51 110.989 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.523 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.36 124.47 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 0.43 109.339 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -68.83 150.29 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 2.82 109.235 -179.941 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.431 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -149.77 -177.17 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 2.3 108.273 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 40' ' ' CYS . 1.1 pm0 -153.87 122.59 6.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 2.91 110.313 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.588 ' CE2' ' HA2' ' A' ' 47' ' ' GLY . 1.8 t80 -91.61 118.48 30.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 1.35 111.019 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.602 ' CG ' ' CE1' ' A' ' 50' ' ' TYR . 1.3 m-20 -76.01 125.67 29.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 2.55 109.313 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.78 1.46 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 2.79 109.956 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.66 -40.83 9.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 5.46 110.991 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -117.15 -40.38 3.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 4.28 109.283 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.588 ' HA2' ' CE2' ' A' ' 42' ' ' PHE . . . 83.8 62.78 1.73 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 1.49 111.003 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 29' ' ' TYR . 2.9 mmtt -101.07 -88.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 4.18 109.305 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 1.8 p 157.35 -22.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 3.87 108.332 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.602 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 40.9 m-85 37.66 76.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 1.73 110.99 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.439 ' HG ' ' CB ' ' A' ' 7' ' ' CYS . 76.4 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 2.12 108.334 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.28 -0.637 . . . . 1.04 109.28 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.453 HG22 ' HB3' ' A' ' 41' ' ' GLU . 3.2 m -56.64 130.45 45.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.69 110.439 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -93.31 117.56 30.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 1.63 111.021 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.32 155.18 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 2.5 109.306 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.35 -150.09 10.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.75 110.986 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -142.82 160.91 39.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 2.77 109.336 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.475 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 25.3 t -128.71 156.38 43.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 3.34 108.314 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 8.6 m-30 -116.47 148.59 40.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 2.31 111.001 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 8.5 ptmt -85.31 -50.62 7.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 2.28 109.321 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 4.1 tttt -53.36 -31.98 47.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 3.23 109.276 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.5 ' CB ' HG13 ' A' ' 13' ' ' ILE . 13.7 m-20 -105.87 -16.74 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 2.57 109.333 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.561 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 7.0 t30 45.62 53.96 8.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 2.57 109.309 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.793 HD13 ' CD ' ' A' ' 15' ' ' LYS . 1.2 pp -144.8 145.98 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 1.23 109.3 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -93.86 112.5 24.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 1.6 108.267 -179.977 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.793 ' CD ' HD13 ' A' ' 13' ' ' ILE . 2.7 mptt -97.74 105.68 17.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 5.4 109.298 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 17' ' ' LYS . 11.4 p90 -134.53 -170.46 2.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.99 110.979 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 9.0 mmtt -80.53 154.58 27.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 2.89 109.294 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 3.77 109.301 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 18' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.283 -0.636 . . . . 3.41 109.283 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.52 HG23 ' HD2' ' A' ' 15' ' ' LYS . 4.9 mt -111.95 142.91 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 2.13 109.312 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' LYS . 21.6 p -149.75 106.97 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 2.58 108.276 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HA ' HG22 ' A' ' 13' ' ' ILE . 30.9 mttt -39.5 146.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 3.48 109.298 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.622 ' SG ' HG22 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -78.15 120.0 22.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.76 108.346 179.96 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.437 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 3.5 p90 -99.83 12.04 37.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 6.53 110.971 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.673 HG23 ' N ' ' A' ' 31' ' ' LYS . 12.7 m -98.25 -139.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 5.88 109.303 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.673 ' N ' HG23 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -95.63 47.14 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 8.04 109.288 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HG2' ' N ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER 58.64 144.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 4.78 109.287 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.555 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.3 t -60.38 141.83 91.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 1.4 108.298 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.2 Cg_endo -75.04 -33.54 4.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 0.97 110.943 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.16 151.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 3.77 110.342 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.54 128.32 28.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 2.47 109.31 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.79 -23.24 17.62 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.58 110.947 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.555 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -45.18 114.86 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.49 109.286 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 17.4 tttt -61.91 150.61 37.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 2.84 109.325 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -164.8 160.57 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 2.3 108.288 -179.998 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 2.1 mt-10 -129.78 141.68 50.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 3.64 110.293 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 34.1 t80 -100.17 107.92 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.21 111.01 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.49 ' OD1' ' CE1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -69.23 106.38 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 2.89 109.301 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -76.39 0.42 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.22 109.986 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 1.4 m-85 -76.68 -34.97 58.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 5.8 111.013 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -127.2 -45.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 4.16 109.329 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.95 33.46 3.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 1.22 110.985 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 49' ' ' CYS . 31.7 mmtm -71.24 -117.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 3.75 109.278 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 158.87 85.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 1.9 108.298 -179.977 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.49 ' CE1' ' OD1' ' A' ' 43' ' ' ASP . 4.6 m-85 -67.91 59.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.56 110.972 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 3.6 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 2.54 108.295 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.664 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.297 -0.631 . . . . 0.97 109.297 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.714 HG22 ' HB3' ' A' ' 41' ' ' GLU . 2.9 m -64.09 143.01 58.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.86 110.416 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 6.2 m-30 -97.75 -163.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 2.28 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 8.1 m-80 -155.59 141.27 17.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 2.56 109.331 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -166.81 -135.09 1.8 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.42 111.003 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 29.0 mttt -146.98 160.01 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 2.54 109.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 p -134.91 153.41 52.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.98 108.334 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.546 ' CD2' HD11 ' A' ' 13' ' ' ILE . 17.3 m-30 -114.8 134.4 55.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 1.87 111.043 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -75.37 -48.35 23.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 2.15 109.327 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 1.7 ttmt -54.76 -47.9 73.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 3.54 109.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.445 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 73.3 m-20 -89.79 -6.14 56.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 2.44 109.332 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.517 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 10.1 t30 38.67 61.09 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 2.41 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.834 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.0 pp -142.86 165.3 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.32 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.525 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 2.5 t -123.48 110.81 15.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.27 108.312 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.683 ' CG ' HG23 ' A' ' 25' ' ' ILE . 1.4 mtpm? -104.68 135.47 46.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 2.84 109.292 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.913 ' CE2' HG21 ' A' ' 23' ' ' THR . 2.2 p90 -164.23 157.2 17.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 1.06 111.039 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.96 109.27 18.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 4.53 109.278 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.719 ' HB2' ' CB ' ' A' ' 23' ' ' THR . . . -52.27 160.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.92 109.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -57.1 -20.19 24.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 4.2 110.313 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.41 14.51 5.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 2.6 109.969 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.0 4.25 54.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.145 . . . . 2.96 110.993 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -68.18 -66.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 6.89 109.32 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.913 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.28 -173.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 5.52 110.397 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.747 ' N ' HG23 ' A' ' 23' ' ' THR . . . -179.07 -153.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 2.32 109.305 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.683 HG23 ' CG ' ' A' ' 15' ' ' LYS . 1.4 mp -43.66 141.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.94 109.272 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' LYS . 42.4 t -146.91 108.98 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 1.39 108.321 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.834 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -34.03 140.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 4.99 109.328 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -76.55 77.25 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.66 108.24 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.827 ' O ' HG22 ' A' ' 30' ' ' VAL . 6.3 t80 -62.68 114.38 3.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 5.02 110.955 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 74.54 146.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 3.64 109.302 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER 39.38 74.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 3.29 109.269 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 33' ' ' CYS . 3.7 ttmt -40.68 160.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 4.69 109.326 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -56.59 144.34 64.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 1.32 108.298 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.01 -45.03 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.563 1.823 . . . . 0.78 110.972 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -167.49 137.76 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 4.11 110.301 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.493 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.35 132.04 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 2.45 109.352 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.4 -19.9 52.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.5 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -44.41 118.05 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.45 109.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 1.6 tmpt? -62.67 146.98 50.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 3.53 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.502 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -157.46 153.23 26.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 2.21 108.316 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.714 ' HB3' HG22 ' A' ' 2' ' ' THR . 23.1 mt-10 -116.83 150.91 37.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 3.87 110.322 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.565 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 75.8 t80 -106.45 99.38 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.04 110.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.586 ' CG ' ' CE1' ' A' ' 50' ' ' TYR . 1.7 m-20 -62.28 122.29 15.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 2.69 109.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.664 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 13.2 p -90.84 24.73 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.32 109.975 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -111.59 -24.18 10.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 5.61 110.97 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -131.89 -51.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 3.95 109.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.88 25.06 4.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 1.07 111.029 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -148.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 3.15 109.305 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.414 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -159.23 70.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 2.63 108.281 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.586 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 8.6 m-85 -45.89 95.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 1.51 111.038 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 50.7 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 2.42 108.316 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.68 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.308 -0.627 . . . . 0.93 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.719 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.7 OUTLIER -68.93 126.87 31.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.09 110.354 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 3.8 m-30 -85.55 -165.94 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 2.36 110.972 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 4.5 m-80 -154.9 144.57 21.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 2.85 109.241 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -168.38 -132.42 1.42 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.51 111.012 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 11.2 mttp -144.55 166.55 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 2.1 109.264 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' ALA . 5.8 p -142.18 154.1 44.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.97 108.297 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.537 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 17.6 m-30 -114.27 141.0 48.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 1.83 111.01 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -81.43 -47.91 12.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 2.28 109.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -54.34 -38.21 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 4.62 109.318 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.858 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.5 m-20 -102.01 -7.57 22.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 2.43 109.332 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 55.3 t30 38.35 58.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 2.47 109.258 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.984 HD13 HG23 ' A' ' 25' ' ' ILE . 2.8 pp -136.61 162.2 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.74 109.301 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' CYS . 12.6 t -115.82 111.71 20.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 1.25 108.289 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -109.11 131.5 55.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 2.69 109.319 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.933 ' CE2' HG21 ' A' ' 23' ' ' THR . 2.2 p90 -163.76 157.6 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 1.29 111.002 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -85.58 109.67 18.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 3.73 109.309 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.718 ' HB2' ' CB ' ' A' ' 23' ' ' THR . . . -53.1 160.01 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 2.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.561 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 17.5 tt0 -59.88 -18.19 42.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 5.02 110.249 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.0 9.93 4.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 2.83 110.02 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.68 -0.2 61.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.459 1.099 . . . . 3.13 111.017 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' THR . 9.6 tttp -64.57 -66.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 7.03 109.304 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.933 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.6 -174.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 5.6 110.384 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.743 ' N ' HG23 ' A' ' 23' ' ' THR . . . 179.29 -152.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 2.22 109.346 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.984 HG23 HD13 ' A' ' 13' ' ' ILE . 1.5 mt -52.27 133.86 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 2.03 109.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' LYS . 4.9 t -138.38 108.81 6.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.74 108.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.908 ' HA ' HG22 ' A' ' 13' ' ' ILE . 20.7 ttmt -37.84 155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 4.62 109.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -89.8 87.12 6.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 1.28 108.278 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.558 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 9.0 t80 -79.72 6.3 11.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 4.48 110.987 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 31' ' ' LYS . 2.1 t -122.33 -139.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 4.09 109.288 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -63.44 115.81 4.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 4.58 109.329 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 18.9 ttpt -39.84 154.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 2.91 109.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -69.81 147.19 96.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 1.45 108.334 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.05 -46.59 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.453 1.765 . . . . 0.65 111.011 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.9 ptt85 -172.89 143.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 3.6 110.318 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.524 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.1 t0 -37.03 134.33 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 2.21 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.85 -23.49 34.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.44 111.021 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.479 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -41.62 120.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.36 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -65.9 146.88 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 2.43 109.267 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 14.8 t -152.16 162.01 41.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 2.19 108.326 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -125.76 146.75 49.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 2.94 110.318 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 46.9 t80 -108.23 107.58 18.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 1.01 111.027 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.719 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.8 OUTLIER -72.91 124.94 26.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 2.76 109.303 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.68 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 59.7 p -91.5 28.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.28 109.973 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -113.01 -24.85 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 5.57 111.01 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -126.92 -54.38 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 3.26 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.79 26.75 3.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 1.2 111.047 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -94.51 -165.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 5.76 109.276 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.11 96.3 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 2.79 108.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -75.6 78.88 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 1.68 111.017 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 95.3 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 2.11 108.316 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.443 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.281 -0.637 . . . . 0.93 109.281 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.773 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.8 OUTLIER -81.41 138.09 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.79 110.393 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 18' ' ' ALA . 3.5 m-30 -98.01 -166.68 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 2.11 110.984 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 4.0 m-80 -155.01 147.13 23.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 3.07 109.304 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 6' ' ' LYS . . . -168.85 -127.93 0.96 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.64 110.991 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 51.7 mttt -150.26 165.83 31.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 2.01 109.302 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.9 p -141.77 151.22 42.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.99 108.317 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.629 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.2 m-30 -114.5 140.74 48.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 2.14 110.979 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 12' ' ' ASN . 13.5 mttt -58.63 -73.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 4.26 109.305 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.3 tttt -38.74 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 3.59 109.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.713 ' O ' HG23 ' A' ' 13' ' ' ILE . 15.6 m-20 -52.5 -21.47 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 2.24 109.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.629 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 52.5 t30 38.86 56.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 2.49 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.977 HD13 HG23 ' A' ' 25' ' ' ILE . 2.8 pp -130.63 172.77 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.68 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 37.8 t -121.04 102.17 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 1.2 108.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -96.07 129.42 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 3.96 109.315 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.789 ' CE2' HG21 ' A' ' 23' ' ' THR . 2.0 p90 -162.36 163.77 27.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.23 110.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 18' ' ' ALA . 1.2 tmtt? -95.65 100.48 12.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 3.68 109.305 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.795 ' HB2' ' CG2' ' A' ' 23' ' ' THR . . . -45.9 169.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 2.02 109.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -66.57 -28.45 68.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 5.05 110.303 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -116.59 0.5 12.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 2.94 109.969 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.45 3.68 72.23 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 3.18 111.006 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -36.09 81.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 6.12 109.286 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.795 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -83.01 -176.59 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 5.42 110.422 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 161.43 116.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 2.55 109.327 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.977 HG23 HD13 ' A' ' 13' ' ' ILE . 2.1 mt 60.64 142.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 1.8 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' LYS . 43.4 t -160.44 108.44 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 1.37 108.302 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.914 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -37.56 139.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 3.73 109.293 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -72.34 75.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 1.36 108.317 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 1.2 t80 -83.99 4.43 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 4.38 110.983 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 48' ' ' LYS . 3.5 t -103.97 -64.54 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 5.25 109.285 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 6.7 mttm -149.67 129.5 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 4.05 109.324 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 29.0 ttmt -39.79 157.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 3.38 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -83.6 143.62 44.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 1.53 108.262 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.477 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 18.1 Cg_endo -75.01 -42.38 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.74 110.992 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -178.29 147.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 3.71 110.282 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.61 133.29 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 2.74 109.293 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.81 -27.94 17.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.502 1.126 . . . . 0.62 110.98 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.477 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -38.96 117.12 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 0.738 . . . . 0.46 109.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.707 ' HZ3' ' C ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -68.35 146.61 53.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 4.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.528 ' HA ' ' HZ1' ' A' ' 39' ' ' LYS . 38.9 t -152.58 161.54 42.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 2.26 108.314 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.63 ' HB2' HG22 ' A' ' 2' ' ' THR . 7.6 pt-20 -125.14 149.65 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 3.88 110.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.586 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 69.2 t80 -107.06 104.91 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.87 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.773 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.9 OUTLIER -67.77 135.53 52.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 2.6 109.307 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.422 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 15.8 p -95.58 -16.96 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.33 109.989 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -68.53 -9.21 47.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 7.15 111.004 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 20.4 mtpt -148.8 -58.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 3.88 109.288 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.2 49.16 0.41 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 1.03 111.035 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -118.62 175.27 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 3.36 109.263 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 14' ' ' CYS . 1.6 p -123.81 96.09 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 2.05 108.271 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.405 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 21.2 m-85 -66.82 67.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 1.62 110.968 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 3.6 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 1.67 108.262 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.572 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.293 -0.632 . . . . 0.85 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.772 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -78.13 142.87 37.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.81 110.43 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 2.8 m-30 -103.3 -169.46 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 1.89 110.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -150.92 147.0 26.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.99 109.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -170.63 -135.76 1.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.52 111.014 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 39.7 mttt -147.18 156.73 43.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 0.777 . . . . 1.86 109.291 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -126.21 159.21 33.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 1.0 108.256 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.5 m-30 -114.03 150.8 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 1.81 111.025 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 34' ' ' PRO . 3.7 mttt -81.39 -62.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 4.42 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -46.97 -56.77 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 3.92 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.811 ' O ' HG23 ' A' ' 13' ' ' ILE . 29.5 m-20 -75.51 -13.3 60.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 2.38 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.581 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 47.0 t30 38.51 54.21 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 2.37 109.29 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.912 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.3 pp -133.69 177.7 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.66 109.337 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 26' ' ' CYS . 1.0 OUTLIER -128.53 118.74 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.39 108.275 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.795 ' CG ' HG23 ' A' ' 25' ' ' ILE . 23.7 mtpt -111.64 133.99 53.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 3.26 109.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.959 ' CE2' HG21 ' A' ' 23' ' ' THR . 1.8 p90 -162.67 156.88 21.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 1.15 111.001 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -86.43 107.17 17.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 4.28 109.265 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.717 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -49.62 160.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 1.97 109.32 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 0.8 OUTLIER -60.29 -16.54 35.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 5.24 110.327 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.1 10.59 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 2.7 110.01 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.43 0.3 62.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.108 . . . . 3.15 111.015 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -65.22 -65.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 0.805 . . . . 7.09 109.325 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.959 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.71 -172.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 5.56 110.375 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.759 ' N ' HG23 ' A' ' 23' ' ' THR . . . -179.28 -147.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 2.27 109.263 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.795 HG23 ' CG ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -52.85 130.7 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 2.09 109.334 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' CYS . 8.6 t -130.18 100.79 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.38 108.325 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.912 ' HA ' HG22 ' A' ' 13' ' ' ILE . 2.4 ptpt -40.86 149.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 3.85 109.258 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.456 ' HG ' ' CB ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -65.0 -154.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 2.34 108.28 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.764 ' CD1' HG23 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -178.16 98.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 4.76 111.002 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.764 HG23 ' CD1' ' A' ' 29' ' ' TYR . 1.7 t 70.56 -71.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 4.4 109.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.77 72.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 4.18 109.276 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' VAL . 11.0 ttpt -41.73 151.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 3.17 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 8' ' ' TYR . 13.2 m -63.66 147.54 95.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 3.24 108.301 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.501 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.84 111.006 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 173.97 147.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 3.94 110.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 5.2 t70 -40.38 142.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 2.36 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.28 -28.6 7.93 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.72 111.019 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.501 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -40.93 115.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.57 109.261 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -65.64 145.01 56.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 2.33 109.336 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -155.12 160.05 40.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 2.17 108.278 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.521 ' HB2' HG22 ' A' ' 2' ' ' THR . 4.9 pt-20 -126.21 146.27 50.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 3.73 110.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.601 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 70.7 t80 -102.91 110.15 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.02 111.021 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.772 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.7 OUTLIER -74.75 136.09 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 2.87 109.32 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 p -94.09 -18.77 21.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 1.32 110.02 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.624 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -76.1 -8.36 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 6.27 110.992 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 62.8 mttt -152.71 -63.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 2.89 109.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.01 67.79 1.13 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 1.23 111.015 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 13.1 mmtp -117.21 10.94 13.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 3.81 109.298 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 43.06 77.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 2.61 108.292 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -59.12 87.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.38 111.035 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.456 ' CB ' ' HG ' ' A' ' 28' ' ' CYS . 12.2 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.95 108.299 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.326 -0.62 . . . . 1.14 109.326 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.661 HG23 ' HA ' ' A' ' 43' ' ' ASP . 4.1 m -68.51 138.72 55.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.85 110.375 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 19' ' ' GLN . 4.8 m-30 -92.29 179.52 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 2.19 110.999 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.402 ' OD1' ' OE2' ' A' ' 41' ' ' GLU . 3.8 m-80 -140.46 137.49 33.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 2.32 109.309 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.01 -139.06 2.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.39 111.015 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 33.9 mttt -147.83 156.78 43.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 2.42 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -127.54 155.79 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 1.1 108.302 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 18.1 m-85 -105.93 169.22 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 2.22 111.018 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -92.57 -69.78 0.73 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 3.55 109.257 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -42.17 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 3.79 109.319 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.855 ' O ' HG23 ' A' ' 13' ' ' ILE . 3.7 m-20 -59.12 -16.53 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 2.63 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.552 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 63.9 t30 37.38 63.47 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 2.82 109.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.988 HD13 HG23 ' A' ' 25' ' ' ILE . 1.7 pp -131.5 168.28 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.78 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' CYS . 1.2 m -114.5 110.12 19.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 2.12 108.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HD2' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -107.76 129.28 55.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 2.82 109.318 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.959 ' CE2' HG21 ' A' ' 23' ' ' THR . 1.8 p90 -161.09 158.31 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 1.14 111.012 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -87.34 105.32 17.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 3.78 109.259 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.758 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -48.22 161.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.97 109.314 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.566 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 65.6 tt0 -59.79 -26.91 66.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 4.48 110.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.72 9.15 10.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 2.78 110.014 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.93 6.06 77.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.437 1.086 . . . . 3.05 110.977 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' THR . 12.4 tttp -70.58 -64.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 6.41 109.287 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.959 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -52.29 -172.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 5.56 110.382 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.763 ' N ' HG23 ' A' ' 23' ' ' THR . . . 179.13 -153.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 2.28 109.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.988 HG23 HD13 ' A' ' 13' ' ' ILE . 1.6 mt -49.42 139.63 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 2.09 109.273 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 14' ' ' CYS . 4.0 t -146.16 111.79 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 1.95 108.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.897 ' HA ' HG22 ' A' ' 13' ' ' ILE . 18.0 ttpt -36.66 154.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 4.49 109.294 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.63 85.13 6.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.38 108.292 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.578 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 3.1 t80 -79.09 5.11 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 4.04 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.49 HG12 ' H ' ' A' ' 31' ' ' LYS . 2.0 t -115.28 -139.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 4.42 109.331 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -67.12 118.07 10.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 4.11 109.278 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.53 153.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 3.23 109.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.822 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.9 t -74.27 140.09 76.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 1.48 108.352 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -29.52 8.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 0.89 111.011 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER 172.49 140.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 4.43 110.277 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.56 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -36.07 137.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 2.68 109.315 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.4 -28.25 16.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.66 110.963 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.822 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -40.83 118.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.55 109.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -63.99 150.58 44.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 2.68 109.264 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 1.9 p -153.86 152.97 31.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 2.27 108.248 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' CD ' ' C ' ' A' ' 40' ' ' CYS . 1.3 mm-40 -122.84 129.76 52.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 3.4 110.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.609 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 71.3 t80 -92.76 101.52 13.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.91 111.016 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.661 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.4 OUTLIER -64.47 129.65 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 2.46 109.305 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 p -96.81 21.39 9.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 1.3 110.009 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -104.53 -25.89 12.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 5.63 111.021 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -126.39 -53.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 3.86 109.315 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.82 32.64 1.85 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 1.19 111.007 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.99 170.79 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 4.73 109.277 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.09 96.86 5.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 2.94 108.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -69.77 61.88 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.54 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.7 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.86 108.3 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.559 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.322 -0.621 . . . . 0.92 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.77 HG22 ' HB3' ' A' ' 41' ' ' GLU . 3.8 m -63.0 134.12 55.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.99 110.383 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 6.3 m-30 -89.22 -164.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 2.26 110.95 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -155.77 148.25 23.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 2.73 109.285 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 6' ' ' LYS . . . -172.05 -132.08 1.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.41 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 26.2 mttt -148.89 160.53 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 1.98 109.322 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.453 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -134.04 158.31 43.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.13 108.303 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 17.6 m-30 -114.15 169.24 9.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.77 111.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.481 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 1.1 ptpt -99.48 -56.64 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 2.47 109.283 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.37 -56.46 8.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 3.53 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.838 ' O ' HG23 ' A' ' 13' ' ' ILE . 10.8 m-20 -81.07 -14.91 57.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 2.37 109.329 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 12.6 t30 40.29 61.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 2.99 109.315 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.925 HD13 HG23 ' A' ' 25' ' ' ILE . 1.7 pp -135.91 179.83 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.63 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.7 OUTLIER -127.88 112.85 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 1.49 108.291 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -108.82 131.9 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 2.74 109.26 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.945 ' CE2' HG21 ' A' ' 23' ' ' THR . 1.9 p90 -161.17 158.44 27.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.02 111.066 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -86.68 106.08 17.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 4.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.727 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -48.47 159.74 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 2.09 109.265 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -60.4 -15.72 28.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 5.72 110.267 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.91 9.08 3.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 2.56 110.029 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.56 0.0 66.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.444 1.09 . . . . 2.89 110.982 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 23' ' ' THR . 1.4 tmtt? -65.57 -65.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.58 0.812 . . . . 6.68 109.283 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.945 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.84 -173.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 5.44 110.408 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.751 ' N ' HG23 ' A' ' 23' ' ' THR . . . -179.57 -152.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 2.29 109.299 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.925 HG23 HD13 ' A' ' 13' ' ' ILE . 1.6 mt -50.02 141.57 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 2.02 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.2 t -148.67 112.6 5.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 2.13 108.273 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.843 ' HA ' HG22 ' A' ' 13' ' ' ILE . 13.7 mttt -35.61 150.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 3.83 109.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.15 -150.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 2.22 108.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.511 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -150.12 -147.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 3.67 111.001 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -41.61 78.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 4.39 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.939 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 7.9 mttt -84.48 71.0 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 4.48 109.286 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 31' ' ' LYS . 12.4 mtmt -43.99 167.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 2.98 109.316 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.849 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 2.0 t -79.53 139.09 54.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.45 108.297 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.507 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.05 -36.15 2.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.85 110.975 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.481 ' HA ' ' CE ' ' A' ' 9' ' ' LYS . 1.1 ptm180 -175.98 141.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 5.21 110.346 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.552 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.79 135.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 2.45 109.283 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 102.58 -28.67 14.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.555 1.159 . . . . 0.55 110.978 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.849 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -38.62 120.14 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.48 109.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -66.42 150.7 48.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 3.23 109.262 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.43 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 5.8 p -156.97 170.43 22.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 2.17 108.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.77 ' HB3' HG22 ' A' ' 2' ' ' THR . 22.0 mt-10 -134.15 156.28 48.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 4.19 110.27 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.584 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 58.6 t80 -111.78 96.43 6.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.17 110.991 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.624 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.2 OUTLIER -58.43 127.31 31.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 2.47 109.298 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.559 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 18.7 p -92.79 6.57 47.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.35 109.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.595 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -86.95 -33.33 19.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 5.26 110.963 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -127.35 -48.06 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 3.37 109.261 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.77 26.47 3.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 1.3 110.976 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.511 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -77.04 -171.2 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 5.27 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -142.32 84.96 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 3.36 108.308 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -51.25 170.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 2.93 111.012 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.939 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 2.76 108.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.506 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.305 -0.628 . . . . 0.97 109.305 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.721 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.2 m -79.06 128.22 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.89 110.361 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 2.8 m-30 -88.73 -172.34 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 2.2 110.988 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -145.6 137.02 25.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 2.49 109.302 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -163.42 -139.82 2.72 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.44 110.972 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 36.7 mttm -144.03 161.13 39.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 2.59 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.3 p -130.93 153.31 49.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 108.283 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 16.8 m-30 -113.46 136.67 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.79 110.995 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -77.52 -47.89 18.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 2.49 109.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -53.62 -43.59 68.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 3.46 109.299 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.977 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -96.01 -7.54 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 2.31 109.319 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.51 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 59.7 t30 38.33 59.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 2.47 109.286 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.05 HD13 HG23 ' A' ' 25' ' ' ILE . 1.7 pp -134.91 177.57 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.88 109.302 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.03 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -127.0 107.51 10.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 2.04 108.288 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -105.43 130.54 53.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 2.87 109.334 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.927 ' CE2' HG21 ' A' ' 23' ' ' THR . 2.2 p90 -162.96 159.65 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.17 111.023 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -86.58 110.14 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 4.19 109.341 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.716 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -54.62 160.88 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 1.95 109.325 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -58.62 -23.8 59.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 4.97 110.31 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.48 11.97 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 2.7 110.022 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.23 3.73 62.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 2.97 111.001 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' THR . 20.1 tttt -67.95 -65.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 0.791 . . . . 7.23 109.309 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.927 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.56 -173.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 5.53 110.407 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.734 ' N ' HG23 ' A' ' 23' ' ' THR . . . 178.71 -154.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 2.3 109.314 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.05 HG23 HD13 ' A' ' 13' ' ' ILE . 1.4 mt -48.01 134.57 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 2.23 109.298 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' LYS . 22.9 t -140.26 109.03 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.77 108.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.83 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.4 ptpt -36.55 147.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 3.89 109.314 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.426 ' HG ' ' CB ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -60.53 -155.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 2.24 108.312 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.671 ' CD1' HG23 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -178.16 100.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 4.4 111.015 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.671 HG23 ' CD1' ' A' ' 29' ' ' TYR . 1.3 t 67.37 -71.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 3.85 109.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' TYR . 1.1 tttp -70.85 69.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 3.69 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 19.0 ttpt -40.47 153.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 3.1 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -65.65 144.29 98.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 1.3 108.276 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.49 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -45.16 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.7 111.016 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -176.35 143.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 3.58 110.276 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.3 t70 -39.25 136.69 0.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 2.46 109.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.94 -24.0 30.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.49 111.001 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.49 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -44.63 118.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.41 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.493 ' CE ' ' OE2' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -62.36 147.95 46.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 2.75 109.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.414 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 1.8 p -154.65 146.61 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 2.34 108.356 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.493 ' OE2' ' CE ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -116.5 129.92 56.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 3.43 110.25 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.601 ' CG ' ' CE2' ' A' ' 16' ' ' TYR . 65.0 t80 -89.37 104.31 16.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.9 110.972 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.721 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.7 t0 -70.27 130.07 41.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 2.58 109.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 p -95.53 -3.6 46.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.27 109.957 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.598 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -73.76 -11.41 60.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 7.02 111.039 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 16.1 mttt -143.66 -57.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 3.19 109.355 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.97 36.72 0.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 1.42 110.986 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' CE ' ' HB3' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -111.34 179.91 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 4.93 109.28 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.97 94.4 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 2.67 108.298 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.76 74.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 1.3 111.025 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 1.03 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.88 108.265 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.53 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.276 -0.639 . . . . 1.12 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.535 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.8 m -52.75 141.38 21.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.98 110.364 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -96.01 -166.36 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 1.91 111.014 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -149.67 135.04 18.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 2.13 109.347 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -163.66 -139.71 2.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.39 110.999 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 18.4 mttm -141.09 164.79 29.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 2.63 109.305 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 1.6 p -138.39 156.32 47.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.98 108.253 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.731 ' HD2' HD11 ' A' ' 13' ' ' ILE . 39.2 m-85 -116.09 137.22 52.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.82 111.013 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -77.64 -48.87 15.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 2.33 109.282 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 15.4 tttt -54.04 -44.46 71.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 3.57 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 13' ' ' ILE . 4.8 m-20 -90.79 -14.21 32.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 2.15 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 11.9 t30 46.66 53.33 10.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 2.23 109.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.93 HD13 HG23 ' A' ' 25' ' ' ILE . 2.0 pp -136.6 174.66 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.69 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -129.87 122.41 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.35 108.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.472 ' HD3' ' CE2' ' A' ' 8' ' ' TYR . 1.6 pttp -115.47 137.3 52.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 4.48 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.939 ' CE2' HG21 ' A' ' 23' ' ' THR . 1.6 p90 -159.91 160.97 34.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.9 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -89.02 103.3 15.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 4.86 109.331 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.771 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -46.76 159.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 2.03 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -27.74 51.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 4.72 110.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.84 16.71 9.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 2.3 110.038 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 67.81 7.53 49.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.549 1.156 . . . . 2.76 110.954 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 23' ' ' THR . 10.4 tttt -70.29 -66.3 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 6.62 109.308 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.939 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -51.82 -171.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 5.36 110.375 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.747 ' N ' HG23 ' A' ' 23' ' ' THR . . . -179.7 -154.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 2.4 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.93 HG23 HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -50.05 134.92 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 2.36 109.253 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 27' ' ' LYS . 20.9 t -140.95 110.33 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 1.79 108.31 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.841 ' HA ' HG22 ' A' ' 13' ' ' ILE . 15.0 mtpt -33.29 146.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 4.65 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -82.92 -167.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 2.07 108.289 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.33 -149.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 4.62 110.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 t -50.66 -29.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 3.84 109.306 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.559 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 12.4 mmtt -86.48 57.01 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 4.33 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.6 ttmt -39.44 154.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 3.31 109.304 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 5.4 t -69.89 140.41 88.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 1.21 108.288 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.487 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.789 . . . . 0.73 111.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.5 ptt85 -170.05 139.85 1.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 3.67 110.299 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.474 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -35.75 134.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 2.44 109.322 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.69 -22.26 36.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.45 111.059 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.487 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -43.32 120.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.38 109.32 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -66.36 146.39 54.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 2.72 109.306 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 1.6 p -155.72 158.01 37.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 2.12 108.312 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.465 ' HB3' HG22 ' A' ' 2' ' ' THR . 5.7 mt-10 -119.13 139.61 51.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 3.34 110.304 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.502 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 79.4 t80 -97.74 103.58 15.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.93 111.004 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.571 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 4.0 t70 -64.5 121.62 14.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 2.76 109.329 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.53 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 12.7 p -90.7 19.57 5.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 1.19 109.972 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -111.31 -23.74 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 5.48 111.008 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -132.99 -48.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 3.63 109.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.66 7.84 13.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.147 . . . . 1.48 111.011 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 137.47 37.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 3.28 109.295 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.508 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 77.2 m -90.08 95.27 10.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 2.93 108.275 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -60.45 100.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 1.32 111.012 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 2.35 108.286 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.611 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.303 -0.628 . . . . 0.87 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.81 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -80.76 134.58 35.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.96 110.382 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.554 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 8.7 m-85 -90.85 -174.41 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 1.74 110.993 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -153.4 142.7 21.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 2.91 109.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -170.36 -128.44 1.02 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.552 1.157 . . . . 0.64 110.958 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.841 ' C ' ' HZ1' ' A' ' 15' ' ' LYS . 12.0 mttm -142.03 166.68 24.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 2.05 109.251 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.967 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.7 p -143.34 151.88 40.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.02 108.311 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.55 ' CG ' ' HE2' ' A' ' 15' ' ' LYS . 17.4 m-30 -114.55 136.6 52.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 2.02 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -76.72 -48.65 18.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 2.4 109.301 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 15.3 tttm -54.25 -45.56 72.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 2.87 109.328 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 18.9 m-20 -90.38 -10.5 43.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 2.42 109.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 8' ' ' TYR . 12.4 t30 39.84 63.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 2.25 109.297 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.829 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.2 pp -140.99 176.76 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.95 109.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -129.93 110.52 11.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 1.77 108.329 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.841 ' HZ1' ' C ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -99.02 135.49 40.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 5.52 109.307 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.835 ' CE2' HG21 ' A' ' 23' ' ' THR . 2.2 p90 -164.9 157.19 15.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 1.01 110.957 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 101.36 13.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 3.47 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.789 ' HB2' ' CG2' ' A' ' 23' ' ' THR . . . -45.48 169.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.93 109.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -28.69 69.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 4.32 110.304 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.97 -0.19 12.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 2.32 109.995 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.28 2.71 80.13 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.485 1.116 . . . . 2.82 111.035 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -65.24 -41.58 94.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 6.56 109.344 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.835 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -76.57 -175.43 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 5.16 110.393 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 160.59 116.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 2.86 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 1.5 mt 60.75 136.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 2.11 109.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' LYS . 52.2 t -157.68 109.51 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.81 108.316 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.829 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -37.42 141.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 5.12 109.334 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -162.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 2.31 108.295 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.545 ' C ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -178.35 122.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 5.63 110.991 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.545 HG23 ' C ' ' A' ' 29' ' ' TYR . 2.1 t 69.19 -70.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 3.22 109.337 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -80.03 58.47 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 3.87 109.321 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LYS . 16.1 ttmt -39.11 156.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 4.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 7' ' ' CYS . 1.8 m -68.16 140.52 93.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 3.35 108.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.497 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -57.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.501 1.79 . . . . 1.11 111.006 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 3.2 ptt180 -158.05 146.06 18.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 3.42 110.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.537 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.05 135.4 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 2.56 109.289 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 94.49 -27.48 13.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.431 1.082 . . . . 0.54 110.996 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.497 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -39.54 123.95 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.45 109.277 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -73.24 147.2 44.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 2.39 109.331 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 1.31 ' SG ' ' HA ' ' A' ' 51' ' ' CYS . 6.9 t -154.73 170.69 21.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 2.58 108.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.572 ' HB2' HG22 ' A' ' 2' ' ' THR . 11.1 pt-20 -133.87 148.55 51.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 3.65 110.297 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.554 ' CD2' ' CE2' ' A' ' 3' ' ' TYR . 55.6 t80 -106.18 106.92 17.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.88 110.962 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.81 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.9 m-20 -72.89 129.56 38.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 3.05 109.302 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.611 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 91.1 p -92.91 11.9 25.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.32 109.988 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.432 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 3.6 m-85 -90.05 -33.06 16.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 5.32 111.01 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -124.94 -50.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 3.57 109.295 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.42 23.16 4.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.159 . . . . 1.03 110.976 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -97.75 177.19 5.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 5.88 109.282 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.76 97.22 6.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 2.39 108.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.438 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 14.7 m-85 -71.91 56.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.5 111.053 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 1.31 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 2.8 108.274 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.518 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 1.11 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.847 HG23 ' HA ' ' A' ' 43' ' ' ASP . 2.2 m -79.25 143.36 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.97 110.363 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.62 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 2.3 m-30 -100.44 -179.31 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 2.19 111.056 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.87 150.05 33.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 2.83 109.307 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 178.82 -148.37 8.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.47 110.98 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 44.3 mttt -134.96 156.47 48.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 1.86 109.262 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -119.4 150.54 40.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 1.01 108.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CD1' ' OD1' ' A' ' 36' ' ' ASP . 16.0 m-30 -113.08 131.79 55.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 1.76 111.007 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -60.06 -63.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 3.44 109.314 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -72.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 3.63 109.317 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.932 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.7 t0 -62.71 -13.9 37.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 3.3 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.542 ' N ' ' O ' ' A' ' 8' ' ' TYR . 49.3 t30 37.95 60.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 2.35 109.328 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.055 HD13 HG23 ' A' ' 25' ' ' ILE . 2.7 pp -134.92 -175.98 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.03 109.348 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -128.98 105.72 8.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 2.21 108.333 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HZ2' ' HE2' ' A' ' 8' ' ' TYR . 22.3 mttt -88.48 139.34 30.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 3.38 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.758 ' CE2' ' HB3' ' A' ' 24' ' ' ALA . 53.5 p90 -166.29 163.49 17.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 1.23 110.961 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 7.5 mttt -88.22 130.83 34.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 4.84 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' GLY . . . -81.83 155.82 25.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 1.83 109.296 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -40.26 -39.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 6.29 110.353 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -48.79 68.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 3.47 110.024 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . 128.26 -10.53 6.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 3.77 111.016 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 4.7 tttp -75.86 -115.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 8.74 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 m -161.07 138.78 9.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 6.81 110.391 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.758 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . . . -130.92 128.03 39.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 3.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.055 HG23 HD13 ' A' ' 13' ' ' ILE . 11.6 mt -97.71 141.15 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 1.69 109.249 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.2 t -139.3 103.71 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 1.46 108.296 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.825 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -40.77 149.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 1.136 . . . . 6.07 109.336 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.707 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -63.59 -150.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.98 108.287 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.47 ' CE2' ' HD2' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -156.7 -147.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 4.0 111.024 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' ' 30' ' ' VAL . 6.1 t -54.66 -27.48 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 4.63 109.289 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 73.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 4.47 109.307 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 14.7 ttpt -40.8 153.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 2.94 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 1.7 t -53.48 141.31 44.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 1.27 108.332 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.515 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.96 -39.69 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 0.89 111.036 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.5 139.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 3.98 110.276 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.571 ' OD1' ' CD1' ' A' ' 8' ' ' TYR . 14.2 t70 -39.59 137.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 2.4 109.353 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.15 -23.1 34.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 0.6 110.978 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.515 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -49.4 117.44 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.47 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -59.25 148.83 30.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 2.3 109.297 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 p -156.87 162.12 39.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 2.38 108.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 2.1 pm0 -143.0 145.37 32.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 2.85 110.246 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' A' ' 3' ' ' TYR . 62.6 t80 -101.39 106.1 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 1.35 111.053 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.847 ' HA ' HG23 ' A' ' 2' ' ' THR . 2.1 m-20 -78.9 127.99 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 3.23 109.317 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.8 p -86.32 5.84 32.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.67 109.976 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -82.25 -35.99 27.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 5.79 110.974 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -117.0 -48.69 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 4.9 109.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.432 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . . . 116.06 14.26 7.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 1.36 110.98 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -102.09 149.16 24.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 5.27 109.317 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -96.57 85.94 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 4.27 108.277 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -44.61 103.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 1.37 110.979 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.707 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.81 108.304 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.585 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.341 -0.614 . . . . 0.89 109.341 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.802 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.4 m -70.08 143.9 52.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.9 110.369 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 3.7 m-30 -102.43 -166.79 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 1.89 110.992 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -139.61 158.34 44.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 2.48 109.259 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 172.57 -158.74 29.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 0.58 111.002 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.423 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -131.31 166.48 21.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 2.61 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.52 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 1.7 p -136.48 171.76 14.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.99 108.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.585 ' CD1' ' HE3' ' A' ' 15' ' ' LYS . 4.4 m-85 -140.11 148.01 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 1.61 111.017 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' ASP . 2.0 ptmt -84.78 -58.94 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 2.31 109.32 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.83 -27.94 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 5.65 109.27 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 13' ' ' ILE . 36.1 t0 -108.28 -24.13 11.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 3.06 109.324 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' TYR . 24.4 t30 53.11 51.75 15.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 2.33 109.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.907 HD13 HG23 ' A' ' 25' ' ' ILE . 2.3 pp -138.24 176.75 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.63 109.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' CYS . 2.1 t -132.73 124.46 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.37 108.298 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.948 ' HG2' HG23 ' A' ' 25' ' ' ILE . 11.2 mttt -112.18 142.2 44.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 4.03 109.271 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.943 ' CE2' HG21 ' A' ' 23' ' ' THR . 2.8 p90 -168.82 154.47 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.93 111.0 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -85.56 110.97 19.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 3.54 109.299 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.737 ' HB2' ' CB ' ' A' ' 23' ' ' THR . . . -52.61 160.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 2.06 109.259 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -57.6 -36.57 71.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 3.67 110.302 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.79 7.02 21.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 2.37 110.008 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.0 12.7 83.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 2.92 111.013 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 23' ' ' THR . 7.7 tttt -77.87 -63.01 1.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 0.719 . . . . 6.88 109.293 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.943 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.56 -172.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 5.35 110.393 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.745 ' N ' HG23 ' A' ' 23' ' ' THR . . . -177.03 -141.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 2.39 109.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.948 HG23 ' HG2' ' A' ' 15' ' ' LYS . 1.4 mm -55.75 146.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 2.52 109.288 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' CYS . 8.8 t -149.47 108.65 3.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.68 108.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.798 ' HA ' HG22 ' A' ' 13' ' ' ILE . 21.4 ttmt -37.02 154.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 4.16 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.584 ' HG ' ' HG ' ' A' ' 51' ' ' CYS . 10.1 m -99.69 110.72 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 1.37 108.336 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.811 ' O ' HG22 ' A' ' 30' ' ' VAL . 3.6 t80 -94.13 124.38 38.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 5.0 111.007 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.811 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 73.74 146.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 3.34 109.307 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER 39.77 81.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 4.38 109.327 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.99 164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 4.88 109.268 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -57.23 145.31 67.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 1.44 108.264 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.463 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.98 -42.58 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 1.01 110.972 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.8 ptt180 -173.77 139.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 3.75 110.338 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -38.15 133.03 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.41 109.327 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.47 -19.82 50.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.449 1.093 . . . . 0.6 110.987 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.463 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -41.13 120.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.45 109.314 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.8 OUTLIER -65.3 148.87 50.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 2.76 109.251 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -158.44 168.41 27.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 2.22 108.337 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.546 ' HB2' HG22 ' A' ' 2' ' ' THR . 9.3 pt-20 -134.33 148.89 50.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 3.56 110.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 75.7 t80 -102.51 107.64 18.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 1.05 111.002 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.802 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.6 OUTLIER -77.05 128.9 35.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 2.91 109.297 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 p -91.45 28.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 1.34 110.072 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -114.18 -23.6 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 5.49 111.017 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -130.41 -53.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 3.06 109.301 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.13 18.61 6.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 1.24 110.933 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -85.35 -168.13 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 0.752 . . . . 3.41 109.283 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.555 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.8 m -142.18 85.11 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 2.75 108.291 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -53.49 109.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 1.42 110.957 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.584 ' HG ' ' HG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.81 108.274 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.699 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.283 -0.636 . . . . 1.33 109.283 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.726 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -57.02 147.47 24.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 1.06 110.425 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 19.6 m-30 -102.9 -174.77 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 2.02 110.993 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -145.35 149.28 34.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.89 109.283 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -173.06 -129.68 1.18 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.6 110.974 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 18.1 mttm -149.04 159.92 43.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 2.05 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.407 ' CB ' ' HG ' ' A' ' 40' ' ' CYS . 1.3 p -128.98 155.19 45.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 1.04 108.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.57 ' HD2' HD11 ' A' ' 13' ' ' ILE . 38.8 m-85 -114.23 134.29 55.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 2.14 111.002 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 8.4 ptmt -75.62 -48.51 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 2.74 109.306 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 14.6 tttt -51.61 -48.84 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 3.66 109.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.898 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -90.92 -8.13 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 2.89 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' TYR . 59.9 t30 39.95 58.87 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 2.55 109.303 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.028 HD13 HG23 ' A' ' 25' ' ' ILE . 2.1 pp -133.1 175.67 10.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.92 109.266 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' HG ' ' CB ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER -127.65 112.37 14.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 2.43 108.31 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -99.3 153.61 18.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 3.1 109.295 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.669 ' CZ ' ' CD1' ' A' ' 42' ' ' PHE . 38.4 p90 -177.88 160.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.08 111.017 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -78.76 122.78 26.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 4.24 109.326 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.46 162.52 23.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 1.77 109.298 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -43.1 -36.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 5.83 110.289 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -55.92 -50.63 70.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 3.77 110.01 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.78 -4.12 7.0 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.48 1.113 . . . . 3.53 111.008 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -83.6 -114.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 9.67 109.325 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 1.7 m -160.33 134.88 7.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 6.51 110.405 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.608 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . . . -122.61 131.33 53.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 3.43 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.028 HG23 HD13 ' A' ' 13' ' ' ILE . 1.2 mt -107.9 144.54 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 1.67 109.357 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.4 t -141.16 102.26 4.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.92 108.32 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.879 ' HA ' HG22 ' A' ' 13' ' ' ILE . 4.2 ptmt -43.26 139.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 5.28 109.303 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -67.7 113.62 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 1.92 108.283 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -110.33 11.29 23.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 4.17 111.006 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.583 HG23 ' SG ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -132.09 -105.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 3.63 109.258 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.84 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -87.14 107.48 18.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 4.65 109.278 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 23.5 ttpt -40.11 154.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 3.32 109.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -71.38 144.71 89.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 1.32 108.305 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.04 -41.86 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.511 1.795 . . . . 0.84 110.979 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.473 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 3.8 ptt180 178.39 149.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 3.38 110.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.3 t0 -44.44 135.93 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 2.8 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' OD1' ' A' ' 36' ' ' ASP . . . 99.26 -30.15 10.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.63 111.003 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.475 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -41.61 117.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.5 109.267 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 1.8 tmtt? -60.63 148.59 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 3.69 109.318 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.44 ' CB ' ' HG ' ' A' ' 14' ' ' CYS . 2.5 p -161.2 154.69 21.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 2.29 108.28 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.51 ' HB2' HG22 ' A' ' 2' ' ' THR . 3.6 pt-20 -117.69 152.68 34.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 4.3 110.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.669 ' CD1' ' CZ ' ' A' ' 16' ' ' TYR . 42.3 t80 -115.66 110.01 18.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.94 111.001 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.726 ' HA ' HG23 ' A' ' 2' ' ' THR . 5.3 t70 -58.81 139.06 56.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 3.18 109.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.699 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 43.2 p -109.59 21.94 16.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.59 109.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.61 ' CD2' ' OD1' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -111.23 -21.04 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 5.38 110.986 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -135.34 -54.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 4.29 109.314 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.48 45.07 0.53 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 1.03 110.965 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -109.46 167.59 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.751 . . . . 5.34 109.283 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' CB ' ' HB2' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -115.08 101.48 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 2.49 108.281 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -80.36 64.99 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.25 111.041 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.84 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 2.93 108.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.742 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.331 -0.618 . . . . 1.08 109.331 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.64 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -59.91 135.99 57.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 1.24 110.347 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -96.52 -172.13 2.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 2.09 110.992 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -145.01 124.48 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 2.13 109.298 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.38 -139.81 3.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.45 111.025 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 18.8 mttt -147.09 158.64 44.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 2.04 109.328 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -134.4 156.93 47.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.26 108.284 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 15.3 m-30 -109.59 171.28 7.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 1.65 111.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -107.68 -47.51 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 2.31 109.257 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 7.6 tttt -53.98 -54.31 40.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 3.08 109.251 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -91.66 -5.75 53.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 3.16 109.324 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 10.2 t30 38.72 65.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 3.04 109.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.588 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.4 pp -132.95 175.06 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.95 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -131.58 106.43 8.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 1.57 108.343 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 9.6 mtpt -97.28 135.07 39.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 3.05 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.732 ' CZ ' HG21 ' A' ' 23' ' ' THR . 3.3 p90 -169.44 165.99 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.02 110.99 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -92.75 137.69 32.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 3.93 109.327 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.682 ' HB2' ' CB ' ' A' ' 23' ' ' THR . . . -92.28 36.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 2.64 109.301 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 3.8 tp-100 67.1 -59.01 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 5.67 110.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -89.37 5.21 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 2.38 110.003 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.66 3.17 71.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 3.26 110.958 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' THR . 35.2 tttt -55.77 -85.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 7.47 109.303 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.732 HG21 ' CZ ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -49.88 -178.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 5.68 110.443 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.671 ' N ' HG23 ' A' ' 23' ' ' THR . . . 164.66 118.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 2.77 109.268 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.438 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 1.6 mt 61.76 136.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.79 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.527 ' O ' ' C ' ' A' ' 27' ' ' LYS . 3.9 t -160.15 113.74 2.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 1.97 108.32 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.588 ' HA ' HG22 ' A' ' 13' ' ' ILE . 7.7 mttt -30.96 143.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 3.85 109.31 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 14.3 m -71.58 62.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.82 108.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.798 ' O ' HG22 ' A' ' 30' ' ' VAL . 7.3 t80 -44.49 117.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 4.87 110.986 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.798 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 73.48 146.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 4.03 109.283 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.6 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 4.02 109.323 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 27.6 ttmt -137.09 147.72 46.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 3.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.854 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -70.12 144.9 93.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 1.64 108.268 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.515 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.4 Cg_endo -74.99 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.98 111.036 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -166.37 143.61 5.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 3.96 110.27 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.57 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.63 133.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 2.41 109.312 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 104.11 -27.16 20.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.53 111.023 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.854 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -37.64 119.82 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.794 . . . . 0.45 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 8.0 tttt -70.52 150.85 45.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 3.81 109.329 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.1 t -154.38 162.71 41.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 2.57 108.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -123.41 121.41 35.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 2.74 110.332 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CG ' ' CE2' ' A' ' 16' ' ' TYR . 53.1 t80 -85.65 110.83 19.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 1.02 111.004 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.64 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.7 OUTLIER -64.15 126.6 28.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 2.39 109.291 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.742 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 24.9 p -88.85 -20.17 24.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 1.57 109.957 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -68.54 -9.73 51.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 7.14 110.955 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 46.6 mttt -151.53 -62.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 3.15 109.28 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.75 45.76 0.33 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.501 1.126 . . . . 1.3 111.024 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 174.83 5.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 0.733 . . . . 4.07 109.275 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.23 112.19 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 2.63 108.325 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.432 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 28.1 m-85 -95.33 63.6 2.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 1.37 110.968 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.65 ' SG ' ' HA ' ' A' ' 33' ' ' CYS . 4.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 3.45 108.336 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.531 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.3 -0.63 . . . . 0.92 109.3 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.822 HG23 ' HA ' ' A' ' 43' ' ' ASP . 2.1 m -71.89 150.45 44.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.83 110.393 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.553 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 4.9 m-30 -108.5 -169.58 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 1.74 110.983 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 8.4 m120 -154.9 154.05 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 2.79 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.95 -133.65 2.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.51 111.024 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 57.7 mttt -144.9 162.5 36.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 1.95 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -136.58 160.68 38.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.98 108.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.541 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 21.0 m-30 -118.75 164.36 15.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 2.12 110.985 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -79.3 -77.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 3.37 109.288 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' LYS . 6.6 ttmt -40.18 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 3.59 109.271 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.505 ' O ' HG23 ' A' ' 13' ' ' ILE . 8.8 m-20 -53.88 -26.02 22.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 3.09 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.55 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 8.7 t30 38.74 59.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 2.11 109.268 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.886 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.2 pp -132.17 -179.81 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.74 109.272 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' CYS . 35.1 t -126.47 107.93 10.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.28 108.309 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.639 ' HG3' HD13 ' A' ' 13' ' ' ILE . 5.7 mtpp -95.06 134.01 38.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 3.02 109.286 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.942 ' CE2' HG21 ' A' ' 23' ' ' THR . 2.3 p90 -163.95 157.08 18.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.11 111.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 18' ' ' ALA . 1.1 tmtt? -92.56 97.36 10.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 3.94 109.283 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.859 ' HB2' ' CG2' ' A' ' 23' ' ' THR . . . -41.8 162.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.99 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -57.75 -37.94 74.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 4.05 110.264 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.26 -3.48 22.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 2.25 109.981 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.08 11.26 85.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 2.68 111.015 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -44.23 56.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 5.7 109.265 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.942 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -70.26 -170.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 5.08 110.443 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.771 ' N ' HG23 ' A' ' 23' ' ' THR . . . 160.13 117.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 2.88 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.536 HG23 HD13 ' A' ' 13' ' ' ILE . 1.6 mt 60.73 142.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 2.08 109.322 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 27' ' ' LYS . 24.3 t -160.99 113.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.44 108.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.886 ' HA ' HG22 ' A' ' 13' ' ' ILE . 13.7 mttt -35.13 144.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 3.71 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.9 m -95.65 135.62 37.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.58 108.358 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.786 ' O ' HG22 ' A' ' 30' ' ' VAL . 16.2 t80 -116.42 128.89 55.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 5.03 110.973 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 72.49 145.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 3.5 109.284 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 30' ' ' VAL . 2.5 tttm 39.2 72.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 4.97 109.29 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 33' ' ' CYS . 12.6 ttpt -42.37 163.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 3.14 109.243 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.745 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 5.0 t -58.16 137.84 84.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 1.3 108.296 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.493 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 -40.82 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.89 110.967 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.6 ptt180 -171.14 140.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 4.24 110.277 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.91 135.52 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 2.64 109.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 100.77 -26.9 22.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.68 111.007 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.745 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -39.61 121.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.56 109.283 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 149.79 49.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 2.37 109.317 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -151.5 -175.1 5.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 2.36 108.235 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -155.57 148.66 24.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 2.91 110.313 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.553 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 35.5 t80 -104.16 108.03 19.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 1.2 111.037 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.822 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.8 OUTLIER -73.01 137.22 45.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 2.38 109.301 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.0 p -101.42 -18.21 16.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.49 110.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.604 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -63.84 -17.25 62.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 7.24 110.996 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 14.0 mttm -146.29 -64.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 3.77 109.291 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.49 44.66 0.76 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 1.33 111.019 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.529 ' HZ3' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -97.73 -11.61 23.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 4.01 109.28 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 55.95 83.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 3.82 108.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -63.96 120.2 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 2.06 110.964 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 3.63 108.335 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.806 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.299 -0.63 . . . . 0.95 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.59 HG22 ' HB3' ' A' ' 41' ' ' GLU . 20.1 m -59.06 145.32 42.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.04 110.358 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 19' ' ' GLN . 10.3 m-85 -103.37 -160.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.98 111.033 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -158.3 142.77 16.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 2.51 109.329 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.14 -138.05 2.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.41 110.956 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 20.2 mttm -147.16 147.82 30.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 3.71 109.317 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.489 ' C ' ' HG ' ' A' ' 33' ' ' CYS . 12.9 t -123.56 160.25 27.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 3.26 108.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.551 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.8 m-30 -114.76 151.92 32.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 1.85 111.014 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -89.75 -48.26 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 2.37 109.336 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -58.04 -36.3 72.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 4.8 109.287 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.461 ' CB ' HG13 ' A' ' 13' ' ' ILE . 3.6 m-20 -97.99 -20.46 17.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 3.12 109.256 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.551 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 13.8 t30 49.51 53.43 12.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 2.22 109.348 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.763 HG22 ' HA ' ' A' ' 27' ' ' LYS . 1.9 pp -143.97 143.82 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 1.41 109.317 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 4.7 t -99.49 123.23 43.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 1.5 108.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.846 ' HG2' HD12 ' A' ' 25' ' ' ILE . 0.7 OUTLIER -114.94 131.11 57.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 4.46 109.343 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.963 ' CE2' HG21 ' A' ' 23' ' ' THR . 1.2 p90 -156.52 163.85 38.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.06 111.033 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.22 99.75 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 4.33 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.778 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -40.8 159.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 2.05 109.347 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.575 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 3.0 tt0 -60.79 -16.21 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 4.79 110.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.21 9.33 3.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 2.48 110.003 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.72 0.47 68.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 3.07 110.993 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 23' ' ' THR . 15.6 tttm -66.17 -64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 0.737 . . . . 6.06 109.26 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.963 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -52.15 -171.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 5.44 110.407 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.769 ' N ' HG23 ' A' ' 23' ' ' THR . . . -177.64 -143.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 2.35 109.25 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.846 HD12 ' HG2' ' A' ' 15' ' ' LYS . 1.1 mm -58.8 139.5 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 2.38 109.293 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -144.93 107.03 4.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 1.99 108.255 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.763 ' HA ' HG22 ' A' ' 13' ' ' ILE . 13.5 mttt -35.58 145.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 3.86 109.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.956 ' SG ' ' HB3' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -88.37 90.17 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.69 108.333 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.791 ' O ' HG22 ' A' ' 30' ' ' VAL . 7.4 t80 -67.75 122.12 17.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 5.04 110.983 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 72.94 146.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 3.34 109.301 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER 37.83 84.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 3.29 109.289 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.27 179.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 2.85 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.893 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -75.25 143.12 76.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 1.56 108.298 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -43.26 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.49 1.784 . . . . 0.87 110.991 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -166.34 136.81 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 3.65 110.343 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.49 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -35.99 136.14 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 2.58 109.276 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 99.8 -25.15 29.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.59 111.038 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.893 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -39.25 120.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.51 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 1.2 ttmt -71.45 149.03 46.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 3.59 109.247 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.418 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -153.76 -178.94 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 2.09 108.333 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.59 ' HB3' HG22 ' A' ' 2' ' ' THR . 5.2 mp0 -144.24 144.33 31.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 2.74 110.26 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.447 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 93.3 t80 -102.26 98.89 8.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.89 111.03 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 46' ' ' LYS . 1.1 p-10 -63.88 121.18 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 4.17 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.806 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 13.4 p -88.51 15.82 7.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 1.28 110.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -101.41 -27.96 12.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 5.67 111.033 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' OD2' ' A' ' 43' ' ' ASP . 16.2 mttp -122.59 -51.83 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 4.25 109.284 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.69 26.37 4.21 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.553 1.158 . . . . 1.05 111.025 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -83.7 -156.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 4.51 109.257 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -156.15 69.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 3.27 108.271 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.417 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 19.9 m-85 -36.57 150.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 2.44 110.99 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.956 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 2.78 108.292 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.6 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.314 -0.624 . . . . 1.07 109.314 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -53.73 161.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.18 110.389 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 0.7 OUTLIER -133.41 120.81 21.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 1.92 110.987 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.99 159.53 32.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 2.29 109.303 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 172.04 -164.76 37.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.72 110.994 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 23.3 mttp -127.22 166.36 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 2.31 109.317 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -130.83 162.65 29.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.03 108.288 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' A' ' 15' ' ' LYS . 7.2 m-85 -122.65 138.13 54.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.33 110.954 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 7.2 ptmt -83.33 -48.81 10.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 2.49 109.306 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.73 -26.56 61.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 4.14 109.337 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 5.6 m-20 -108.12 -16.64 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 2.32 109.321 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' TYR . 12.4 t30 48.49 62.41 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 2.39 109.339 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.779 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.5 pp -147.82 177.8 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.68 109.266 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.67 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 1.1 t -129.06 112.65 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.27 108.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.569 ' HD2' ' CD1' ' A' ' 8' ' ' TYR . 12.7 mttm -102.2 121.54 42.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 3.21 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.656 ' OH ' HG21 ' A' ' 23' ' ' THR . 10.4 p90 -143.28 -149.39 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.8 111.038 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.575 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -117.33 130.68 56.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 4.1 109.268 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.588 ' HB3' ' N ' ' A' ' 22' ' ' LYS . . . -78.2 167.01 22.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 1.64 109.3 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -50.5 -33.95 23.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 4.25 110.248 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.69 22.54 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 2.73 110.048 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.89 -3.28 61.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 2.41 110.979 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.588 ' N ' ' HB3' ' A' ' 18' ' ' ALA . 1.3 mtpm? -54.34 -87.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 5.25 109.31 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.656 HG21 ' OH ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -54.98 145.35 20.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 5.37 110.385 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.462 ' C ' ' CG1' ' A' ' 25' ' ' ILE . . . -141.64 13.23 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 3.76 109.299 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.471 HG23 HD13 ' A' ' 13' ' ' ILE . 1.7 mt -151.86 154.6 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.76 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 14' ' ' CYS . 20.3 t -155.91 100.02 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 1.66 108.308 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.779 ' HA ' HG22 ' A' ' 13' ' ' ILE . 8.5 mttt -37.88 141.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 3.6 109.335 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 56.4 m -100.42 120.0 39.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 1.33 108.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.513 ' CZ ' ' HG2' ' A' ' 48' ' ' LYS . 8.8 p90 -109.51 136.95 48.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 4.58 110.993 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.599 HG12 ' N ' ' A' ' 31' ' ' LYS . 3.3 t 64.0 -78.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 4.04 109.282 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.599 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -69.82 64.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 4.89 109.279 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.7 mtmt -47.11 164.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 4.08 109.293 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 37.4 t -70.95 137.05 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.2 108.304 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -32.2 5.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.77 110.995 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.459 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 172.56 141.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 5.74 110.294 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.561 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.4 m-20 -41.72 133.11 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 4.23 109.309 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.94 -17.4 59.33 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.78 111.017 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.481 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -53.09 119.11 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.42 109.321 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 7.9 tttt -63.8 147.87 50.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 2.47 109.337 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 1.6 t -157.5 160.91 38.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 2.1 108.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 2.2 pm0 -131.58 130.22 41.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 2.92 110.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.677 ' O ' HG22 ' A' ' 2' ' ' THR . 11.9 t80 -87.5 143.08 27.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.31 110.954 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.616 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 8.2 t70 -103.81 131.44 51.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 3.06 109.303 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.424 ' HG ' ' HE1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -102.77 19.22 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.81 109.994 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.645 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -108.76 -11.6 15.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 5.81 110.976 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -141.4 -47.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 3.45 109.311 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.79 12.89 15.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.96 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 5.5 mtpt -82.9 176.05 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 3.76 109.306 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -124.72 98.3 5.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 2.28 108.269 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -72.18 58.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 1.22 111.008 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 32.9 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 1.99 108.317 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.62 . . . . 1.13 109.327 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.666 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -99.21 141.33 32.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.96 110.386 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 5.7 m-85 -113.24 121.94 45.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.52 111.01 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.03 161.04 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 2.11 109.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -177.27 -143.67 5.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.4 111.025 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' LYS . 12.3 mttp -142.94 156.65 44.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 2.4 109.299 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.514 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 1.1 p -130.75 170.17 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.97 108.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.567 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 3.8 m-85 -141.28 150.36 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 1.96 110.959 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' ASN . 36.7 mttt -76.18 -65.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 4.53 109.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -39.55 -52.3 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 4.19 109.268 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.44 ' CB ' HG13 ' A' ' 13' ' ' ILE . 31.4 m-20 -80.74 -25.25 38.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 3.04 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.567 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 2.2 t30 49.18 48.71 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 3.03 109.316 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.854 HD13 HG23 ' A' ' 25' ' ' ILE . 2.6 pp -131.05 -177.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.94 109.367 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 51.5 t -137.25 108.14 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 1.28 108.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' HD2' ' CE1' ' A' ' 8' ' ' TYR . 13.6 mtpt -96.66 139.25 33.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 3.29 109.318 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.67 ' CE2' HG21 ' A' ' 23' ' ' THR . 3.6 p90 -167.32 172.21 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.98 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -99.27 120.8 40.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 3.27 109.263 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.742 ' HB2' ' CG2' ' A' ' 23' ' ' THR . . . -75.43 168.97 18.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.72 109.282 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.78 -50.32 10.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 4.11 110.239 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.32 19.31 13.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 3.15 110.008 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.57 6.56 55.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 3.14 111.008 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -16.09 30.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 5.01 109.252 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.742 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -110.67 -176.82 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 5.23 110.415 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.707 ' N ' HG23 ' A' ' 23' ' ' THR . . . 162.73 121.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 2.81 109.28 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.854 HG23 HD13 ' A' ' 13' ' ' ILE . 0.9 OUTLIER 61.1 134.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 2.13 109.355 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' LYS . 2.9 t -153.61 106.66 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 1.41 108.286 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.854 ' HA ' HG22 ' A' ' 13' ' ' ILE . 2.6 mtpt -35.01 139.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 4.69 109.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' TYR . 4.9 m -86.82 112.22 21.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 1.36 108.326 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.608 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 1.9 p90 -59.29 -148.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 6.34 110.99 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.608 ' N ' ' CG ' ' A' ' 29' ' ' TYR . 27.0 t -36.45 -63.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 4.3 109.259 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -54.34 90.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 3.64 109.265 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.498 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 29.9 ttmt -64.35 155.4 32.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 2.94 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 49.3 t -69.36 136.72 88.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 1.16 108.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.563 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.02 -36.86 2.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 1.07 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.86 160.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 3.55 110.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.482 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -55.43 135.78 50.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 2.93 109.29 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.21 -22.27 27.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.62 111.051 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.563 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -39.77 119.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 0.46 109.274 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -69.14 148.34 50.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 2.35 109.327 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 23.4 t -155.11 162.01 41.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 2.32 108.332 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.1 pm0 -131.86 134.71 46.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 2.91 110.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -96.86 113.29 24.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.95 110.989 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.666 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.8 t0 -83.84 131.53 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 3.03 109.296 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 p -91.2 -13.03 33.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 1.27 110.031 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.599 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -70.54 -8.13 49.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 6.45 110.997 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 28.1 mttt -148.01 -55.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 3.52 109.335 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.03 19.9 5.81 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 1.05 111.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -87.13 173.06 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 0.725 . . . . 4.5 109.277 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -122.92 97.48 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 2.41 108.293 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -71.46 63.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 1.42 111.022 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 1.63 108.316 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.291 -0.633 . . . . 0.95 109.291 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.518 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -67.67 147.02 53.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.94 110.369 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.45 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 56.3 m-85 -117.11 121.49 41.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 1.51 110.981 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.76 160.36 30.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 2.45 109.314 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 169.22 -165.16 38.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.88 110.994 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -123.82 169.69 11.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 3.72 109.331 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -132.68 159.99 38.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.99 108.319 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.577 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 6.8 m-85 -120.34 141.0 50.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.44 110.963 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -85.21 -48.36 9.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 3.24 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -55.07 -25.23 29.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 3.72 109.317 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' ILE . 33.6 t0 -112.53 -16.18 12.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 3.32 109.297 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.491 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 13.8 t30 48.86 59.04 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 2.18 109.315 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.564 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -140.3 -177.39 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.85 109.25 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' HG ' ' HG ' ' A' ' 40' ' ' CYS . 2.2 t -136.98 116.93 13.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.16 108.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.937 ' HG2' HD12 ' A' ' 25' ' ' ILE . 26.9 mtpt -105.85 122.41 46.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 2.89 109.29 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.746 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 27.6 p90 -140.98 161.7 37.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 1.38 111.004 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -79.91 134.4 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 3.76 109.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.69 -119.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 2.37 109.283 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -126.06 0.37 7.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 3.98 110.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.11 11.97 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 3.84 109.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 23' ' ' THR . . . 85.44 -15.9 43.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 2.97 110.992 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 23' ' ' THR . 3.0 mmmp? -40.74 -29.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 5.34 109.242 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 23' ' ' THR . 0.7 OUTLIER 52.9 106.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 6.16 110.426 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.809 ' C ' HD13 ' A' ' 25' ' ' ILE . . . -100.49 159.75 14.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 3.34 109.331 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.937 HD12 ' HG2' ' A' ' 15' ' ' LYS . 2.1 mm -109.15 135.82 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 2.9 109.317 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' LYS . 11.2 t -129.15 100.21 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.84 108.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -38.6 151.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 5.39 109.307 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 65.8 m -75.17 178.91 5.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 1.58 108.343 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.656 ' CD2' HG23 ' A' ' 30' ' ' VAL . 20.0 t80 -179.51 148.03 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 4.66 110.94 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.656 HG23 ' CD2' ' A' ' 29' ' ' TYR . 2.2 t 66.85 -72.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 3.36 109.338 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' TYR . 7.2 mttt -107.87 80.45 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 4.02 109.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -40.43 160.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 2.64 109.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 42.6 t -58.68 135.99 86.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.22 108.277 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.95 -33.97 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.68 110.995 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER 172.66 140.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 5.08 110.298 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 21.0 m-20 -40.35 131.76 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 4.03 109.282 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.93 -17.47 56.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.57 111.006 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -55.7 120.2 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.43 109.27 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 8.5 tmtm? -66.48 147.92 52.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 4.01 109.311 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 5.2 t -159.32 162.42 35.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 2.25 108.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 2.1 pm0 -130.39 132.82 45.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 2.75 110.31 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.746 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 34.1 t80 -93.02 119.19 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 1.03 111.022 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.518 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.0 OUTLIER -80.47 124.3 28.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 2.6 109.289 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.15 21.27 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.4 109.942 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -104.94 -26.28 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 5.48 111.003 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -126.95 -53.5 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 3.97 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 114.98 19.46 5.97 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.115 . . . . 1.08 110.956 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -179.5 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 3.54 109.33 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 100.89 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 2.64 108.257 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -76.98 54.61 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.48 111.005 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.0 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.57 108.329 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.277 -0.638 . . . . 1.58 109.277 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.509 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -92.52 148.31 22.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 1.37 110.413 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.573 ' CE2' ' HG3' ' A' ' 19' ' ' GLN . 4.0 m-85 -115.31 112.46 22.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 1.9 110.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -89.68 136.54 32.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 2.28 109.267 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -162.57 -135.47 1.82 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.49 111.018 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 8.5 mttt -139.44 162.14 35.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 1.84 109.336 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -128.87 172.11 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 108.295 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 5.7 m-85 -137.1 139.31 41.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 1.69 111.005 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.8 mttt -60.72 -72.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 2.92 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -39.74 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 3.05 109.35 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -54.44 -23.63 16.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 2.64 109.308 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 8.0 t30 41.89 60.06 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 2.26 109.299 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.807 HG22 ' HA ' ' A' ' 27' ' ' LYS . 1.2 pp -142.32 -175.9 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.92 109.279 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.472 ' HG ' ' HG ' ' A' ' 40' ' ' CYS . 12.9 t -132.91 112.21 11.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 1.29 108.315 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.664 ' CG ' HG23 ' A' ' 25' ' ' ILE . 7.8 mttm -106.88 139.54 41.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 4.25 109.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.649 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -140.87 -175.99 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 1.21 111.014 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HA ' ' OG1' ' A' ' 23' ' ' THR . 0.5 OUTLIER -92.1 29.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 4.05 109.277 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' HB3' ' H ' ' A' ' 23' ' ' THR . . . 37.28 -139.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 2.6 109.355 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.573 ' HG3' ' CE2' ' A' ' 3' ' ' TYR . 3.1 mt-30 -125.46 0.4 7.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 4.28 110.345 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.07 18.65 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 3.41 109.98 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 23' ' ' THR . . . 86.23 -18.94 29.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 2.98 110.972 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' A' ' 23' ' ' THR . 3.5 mtmm -45.03 -26.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 6.72 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.465 ' O ' ' O ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER 50.8 105.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 6.51 110.389 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.605 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . -109.1 161.12 15.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 3.15 109.298 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.664 HG23 ' CG ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -112.96 139.18 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 3.27 109.301 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.1 t -127.22 98.87 5.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 2.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.807 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -39.12 142.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 4.88 109.339 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 76.3 m -91.19 125.36 35.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 1.28 108.289 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.523 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 1.3 p90 -111.92 136.01 51.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 5.26 111.033 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 31' ' ' LYS . 22.2 t 63.76 -79.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 3.99 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.585 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 12.3 tttp -70.06 62.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 3.61 109.294 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -43.37 164.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 2.73 109.285 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 41.1 t -68.34 135.95 91.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 1.27 108.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -33.86 4.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.763 . . . . 0.72 111.014 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 0.0 OUTLIER 174.94 147.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 5.82 110.315 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.83 133.07 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 2.48 109.272 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.51 -29.14 12.05 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.46 1.1 . . . . 0.61 111.035 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -39.66 122.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.5 109.283 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -73.17 149.02 43.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 2.47 109.314 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.472 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 4.7 t -160.57 162.04 32.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 2.4 108.276 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -130.93 133.72 46.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 2.65 110.302 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 2' ' ' THR . 34.1 t80 -99.02 120.37 39.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 1.38 111.005 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HA ' HG23 ' A' ' 2' ' ' THR . 6.9 m-20 -86.19 116.33 24.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 2.98 109.33 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.16 4.2 18.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 3.65 109.991 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.503 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 1.9 m-85 -81.49 -44.29 17.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 5.68 110.972 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -113.48 -48.03 2.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 3.89 109.292 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.94 18.52 6.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 1.56 111.01 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HG2' ' CE2' ' A' ' 29' ' ' TYR . 2.9 mtpt -75.78 -170.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 4.82 109.325 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 2.7 t -143.93 92.55 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 2.34 108.318 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.4 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 6.7 m-30 -70.63 77.86 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 1.49 110.983 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 1.86 108.328 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.495 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.305 -0.628 . . . . 1.3 109.305 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.422 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -64.04 133.53 53.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.85 110.383 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 18' ' ' ALA . 89.3 m-85 -100.7 126.16 47.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 2.27 110.964 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.27 152.22 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.8 109.286 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -168.98 -130.53 1.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.55 110.973 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.409 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 30.9 mttt -143.01 160.49 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 2.22 109.332 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 4.4 p -132.66 166.2 22.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 1.05 108.276 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' ASN . 6.6 m-85 -130.74 135.48 47.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 1.59 110.958 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -80.22 -48.84 12.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 2.56 109.325 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -54.73 -26.23 32.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 3.55 109.305 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.685 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -110.08 -14.16 14.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 2.55 109.294 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 10.1 t30 45.0 58.4 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 2.21 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.902 HD13 ' CG2' ' A' ' 25' ' ' ILE . 2.8 pp -139.87 170.29 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.88 109.315 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.828 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -120.54 122.16 39.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 2.13 108.292 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.611 ' CG ' HG23 ' A' ' 25' ' ' ILE . 2.2 mttt -114.45 147.74 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 3.97 109.27 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.708 ' HE1' ' HB3' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -161.48 -172.95 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 1.8 111.022 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.655 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 6.0 ttpt -73.39 -18.14 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 5.24 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 17' ' ' LYS . . . 81.51 -162.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 2.95 109.28 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.542 ' NE2' ' OH ' ' A' ' 3' ' ' TYR . 1.8 tm0? -93.65 -64.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 5.08 110.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -38.82 -31.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 2.86 110.019 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 19' ' ' GLN . . . 117.97 -12.6 13.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.459 1.099 . . . . 4.23 111.001 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -78.96 -107.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.763 . . . . 9.22 109.318 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.6 m -154.31 164.1 39.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 6.87 110.383 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.708 ' HB3' ' HE1' ' A' ' 16' ' ' TYR . . . -174.21 158.36 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 2.53 109.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.902 ' CG2' HD13 ' A' ' 13' ' ' ILE . 2.1 mt -118.48 155.15 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 1.91 109.314 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' LYS . 24.0 p -148.95 100.03 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 2.36 108.311 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.882 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -38.57 143.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 4.05 109.302 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.849 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 34.9 m -93.24 123.51 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.39 108.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.581 ' CE1' ' CG2' ' A' ' 30' ' ' VAL . 7.7 p90 -112.46 5.06 17.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 3.98 111.032 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.581 ' CG2' ' CE1' ' A' ' 29' ' ' TYR . 1.8 t -121.23 -142.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 3.19 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.488 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -49.21 93.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 3.96 109.333 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.26 152.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 4.92 109.302 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 2.0 t -57.96 141.85 80.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 1.35 108.325 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.92 -40.75 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.81 110.987 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -174.41 139.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 4.68 110.312 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.452 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -37.34 132.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 2.26 109.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.5 -22.68 36.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.91 111.013 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.508 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -42.3 122.26 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.72 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -65.05 149.99 48.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 2.45 109.315 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER -155.17 176.57 12.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 2.3 108.32 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -141.74 129.04 21.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 2.94 110.284 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.571 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 36.3 t80 -99.37 135.89 40.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.93 110.995 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.576 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . 76.5 m-20 -80.28 130.65 35.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 2.43 109.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.495 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 21.2 p -89.01 59.2 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.91 109.981 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 43' ' ' ASP . 4.7 p90 169.71 -29.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 4.41 110.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 2.9 mttp -85.02 -34.59 22.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 3.44 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.11 16.76 79.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 1.1 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.509 ' HG2' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -104.53 -175.31 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 3.82 109.319 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.646 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -130.69 95.09 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 2.33 108.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -67.66 63.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.46 111.004 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.849 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.8 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 1.6 108.309 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.316 -0.624 . . . . 1.32 109.316 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.619 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -79.41 138.78 37.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 110.379 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.444 ' CB ' ' CD1' ' A' ' 16' ' ' TYR . 26.9 m-85 -108.22 118.68 37.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 1.71 111.001 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.78 160.48 27.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 2.36 109.298 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 167.82 -154.45 24.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.53 110.991 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -125.35 168.14 13.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 2.32 109.291 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 2.0 p -134.73 168.83 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 1.03 108.281 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 12' ' ' ASN . 8.2 m-85 -131.48 137.33 48.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 1.58 110.948 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' CD ' ' HA ' ' A' ' 35' ' ' ARG . 8.9 ptmt -81.13 -52.37 7.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 2.23 109.314 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -51.31 -31.47 21.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 3.99 109.303 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 15.4 m-20 -104.07 -18.37 14.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 2.14 109.321 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 8.4 t30 50.2 64.51 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 2.29 109.291 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.724 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -154.11 165.78 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.89 109.319 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.36 128.41 50.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 1.26 108.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -113.62 141.99 46.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 3.19 109.327 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.792 ' CE1' ' HB3' ' A' ' 24' ' ' ALA . 50.2 p90 -156.9 166.01 34.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 1.43 110.98 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -78.52 128.14 33.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 4.38 109.313 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.67 149.26 50.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.76 109.344 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -42.13 -30.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 4.4 110.274 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.98 -55.01 6.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 2.75 110.011 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 22' ' ' LYS . . . 154.04 -22.0 0.68 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.447 1.092 . . . . 3.61 111.037 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 21' ' ' GLY . 7.1 tptp -61.57 -123.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 9.8 109.332 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 m -159.18 139.36 12.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 6.55 110.406 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.792 ' HB3' ' CE1' ' A' ' 16' ' ' TYR . . . -130.81 127.31 38.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 3.44 109.315 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.54 140.12 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 2.24 109.33 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.9 t -125.13 99.71 6.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 2.22 108.362 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.724 ' HA ' HG22 ' A' ' 13' ' ' ILE . 21.1 mtpt -39.61 145.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 3.25 109.301 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.434 ' SG ' ' CA ' ' A' ' 13' ' ' ILE . 64.2 m -96.28 75.35 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 1.48 108.281 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.619 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 23.5 p90 -103.23 39.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 4.9 111.019 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.619 HG11 ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -158.23 -76.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 3.88 109.264 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.665 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.8 mmtp -106.33 85.9 2.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 4.79 109.324 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -38.88 156.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 4.22 109.304 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 27.6 t -78.37 138.76 59.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.23 108.263 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -33.84 4.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.66 110.978 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 12.3 ptm180 176.96 149.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 4.94 110.298 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -44.75 131.53 6.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 2.55 109.306 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.7 -27.66 18.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.62 110.987 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.475 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.26 121.52 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.52 109.315 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -69.8 148.37 49.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 3.02 109.275 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 14.3 t -167.04 162.08 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 2.4 108.284 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.572 ' HB2' HG22 ' A' ' 2' ' ' THR . 4.8 pt-20 -125.97 145.69 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 3.55 110.268 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.62 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 22.8 t80 -102.64 110.95 23.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.39 111.012 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.619 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.9 OUTLIER -74.21 124.73 26.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 4.08 109.327 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 p -89.57 14.75 10.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 1.55 110.01 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -94.88 -30.09 14.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 5.39 111.03 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -129.95 -46.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 3.86 109.289 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.463 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 111.07 24.73 5.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 1.55 110.973 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.619 ' HG2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.77 174.86 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 4.28 109.298 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -121.21 91.12 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 2.99 108.323 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -67.21 67.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 1.58 110.981 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.665 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 1.8 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 1.93 108.302 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.488 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.292 -0.632 . . . . 0.86 109.292 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.629 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -75.92 124.86 28.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.0 110.391 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 57.7 m-85 -90.56 125.22 35.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.39 110.98 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -83.99 162.41 20.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 2.27 109.289 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 174.53 -142.76 6.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.5 111.014 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -140.43 169.62 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 3.31 109.282 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.5 p -135.07 154.04 51.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 1.08 108.319 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 32.5 m-85 -114.56 133.59 55.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 1.81 111.014 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 3.2 mttt -59.65 -69.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 3.4 109.294 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -41.45 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 5.19 109.353 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.718 ' O ' HG23 ' A' ' 13' ' ' ILE . 46.2 t0 -53.95 -20.63 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.117 . . . . 3.52 109.335 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.674 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 1.6 t30 41.18 64.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 2.19 109.318 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.001 HD13 HG23 ' A' ' 25' ' ' ILE . 1.9 pp -140.93 -174.6 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.95 109.311 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -123.92 102.93 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 1.39 108.329 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -93.0 128.0 38.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 4.73 109.257 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.645 ' CE2' HG21 ' A' ' 23' ' ' THR . 3.6 p90 -158.27 175.66 13.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.97 111.018 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -95.75 141.85 28.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 4.39 109.295 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.678 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -92.05 162.28 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.79 109.319 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -27.05 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 4.06 110.297 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.81 20.97 6.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 2.08 109.976 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.86 11.44 37.12 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 2.5 111.009 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -71.33 -67.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 5.69 109.332 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.678 ' HB ' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -49.25 178.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 5.26 110.401 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 166.37 120.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 2.76 109.308 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.001 HG23 HD13 ' A' ' 13' ' ' ILE . 7.0 mt 62.07 135.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 1.64 109.339 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -142.54 110.05 5.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 1.37 108.322 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.943 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -35.57 132.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 4.79 109.257 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 21.5 m -95.21 121.16 36.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 1.43 108.275 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.676 ' CE1' ' CG1' ' A' ' 30' ' ' VAL . 27.5 p90 -116.27 3.56 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 4.3 111.012 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.676 ' CG1' ' CE1' ' A' ' 29' ' ' TYR . 18.9 m -117.01 -137.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 4.1 109.323 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.64 ' N ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -51.74 90.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 3.78 109.33 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -37.84 154.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 4.87 109.307 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 17.0 t -63.87 135.46 96.31 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 1.34 108.269 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -74.98 -31.72 6.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.61 111.007 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 171.84 140.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 5.26 110.242 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.546 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 23.6 m-20 -38.75 130.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 3.78 109.314 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.48 -19.9 48.83 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.65 110.971 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -53.1 120.64 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.42 109.278 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.655 ' HZ3' ' C ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -61.7 149.18 40.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 3.84 109.27 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 4.6 t -158.9 161.74 36.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 2.07 108.317 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.522 ' HB2' HG22 ' A' ' 2' ' ' THR . 6.0 pt-20 -130.02 145.2 51.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 3.6 110.319 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.504 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 44.8 t80 -109.03 112.12 24.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.83 111.035 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.629 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.6 OUTLIER -69.36 130.45 42.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 2.41 109.263 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.488 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 14.6 p -94.34 -21.85 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.18 109.975 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.599 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -64.88 -10.91 32.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 6.84 110.991 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.512 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 24.3 mttm -143.54 -54.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 3.6 109.309 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.47 1.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 1.21 111.017 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -113.14 -178.61 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 3.48 109.294 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.586 ' SG ' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -108.68 131.86 54.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 2.85 108.294 -179.967 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -122.27 50.93 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 1.48 110.983 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 97.6 m . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 2.08 108.33 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.43 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 0.82 109.309 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.584 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -69.81 141.11 53.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.81 110.387 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 22.3 m-85 -108.13 116.16 31.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 1.6 111.004 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.95 146.43 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 1.98 109.317 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -169.72 -133.88 1.66 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.47 111.021 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' LYS . 34.9 mttp -145.39 156.45 43.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 2.06 109.3 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.657 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.7 p -119.9 167.88 11.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 1.15 108.318 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.648 ' HD2' HD11 ' A' ' 13' ' ' ILE . 52.8 m-85 -133.94 130.21 37.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.7 110.984 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.2 mttt -56.97 -70.4 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 3.14 109.3 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' LYS . 12.8 ttpt -39.64 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 4.45 109.293 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.741 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.3 m-20 -52.62 -21.02 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 2.53 109.278 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.572 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 5.8 t30 40.29 63.28 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 2.24 109.283 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.036 HD13 HG23 ' A' ' 25' ' ' ILE . 2.3 pp -140.69 -176.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.91 109.285 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -121.0 105.76 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.77 108.333 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' CG ' HG12 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -94.35 132.42 38.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 5.1 109.34 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.823 ' CE2' HG21 ' A' ' 23' ' ' THR . 1.8 p90 -160.71 165.59 30.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.04 110.979 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.59 100.93 12.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 3.05 109.289 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.828 ' HB2' ' CG2' ' A' ' 23' ' ' THR . . . -47.59 173.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 2.12 109.262 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -41.82 88.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 4.5 110.324 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.64 1.33 15.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 3.25 109.958 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.4 -4.35 81.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.545 1.153 . . . . 2.7 110.973 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -36.67 50.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 0.721 . . . . 5.83 109.298 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.828 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -85.27 -174.34 5.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 5.04 110.436 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.743 ' N ' HG23 ' A' ' 23' ' ' THR . . . 161.73 115.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 3.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.036 HG23 HD13 ' A' ' 13' ' ' ILE . 52.4 mt 61.6 141.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 2.12 109.284 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.54 ' O ' ' C ' ' A' ' 27' ' ' LYS . 7.1 t -158.06 120.96 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 1.6 108.264 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.973 ' HA ' HG22 ' A' ' 13' ' ' ILE . 12.4 mmtt -29.8 141.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 5.13 109.266 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.1 m -86.51 -179.02 6.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.83 108.35 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.706 ' CD2' HG23 ' A' ' 30' ' ' VAL . 29.8 t80 179.64 162.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 4.4 110.986 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.706 HG23 ' CD2' ' A' ' 29' ' ' TYR . 3.9 t 72.65 -73.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 3.36 109.311 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.31 97.78 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 3.59 109.326 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.16 161.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 4.21 109.333 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 23.1 t -62.35 136.29 95.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.24 108.313 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.535 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -74.99 -33.14 4.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.68 111.026 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 172.68 143.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 5.73 110.313 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.47 138.25 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 2.59 109.281 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.97 -24.11 20.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.11 . . . . 0.54 111.016 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.657 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -45.89 117.89 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.45 109.29 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -61.11 148.35 40.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 3.17 109.289 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.499 ' HG ' ' CB ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -156.04 169.42 24.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 2.5 108.281 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -140.91 127.12 19.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 2.95 110.33 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.414 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 19.9 t80 -94.56 115.92 28.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.22 111.029 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.61 ' OD2' ' CD2' ' A' ' 45' ' ' TYR . 7.1 t70 -75.71 133.02 40.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 3.07 109.307 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.43 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 1.4 p -102.32 17.8 22.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 1.21 110.029 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.646 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -109.64 -15.34 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 5.87 110.99 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -127.93 -51.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 4.23 109.281 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.14 25.66 6.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 1.28 110.966 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.81 174.4 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 3.32 109.281 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.49 101.69 10.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.51 108.314 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -77.71 55.6 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 1.49 110.976 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.0 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 1.63 108.283 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.258 -0.645 . . . . 0.85 109.258 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -59.44 147.01 38.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.76 110.408 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.406 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 92.6 m-85 -116.81 117.95 31.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.59 110.998 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.19 152.22 22.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 1.78 109.303 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -171.42 -129.47 1.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.53 111.01 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 32.7 mttm -145.9 160.94 41.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 1.95 109.255 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 4.3 p -135.92 161.85 34.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.03 108.244 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.636 ' O ' ' N ' ' A' ' 12' ' ' ASN . 4.1 m-85 -129.98 126.73 38.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 1.58 110.973 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.516 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -55.01 -58.06 9.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 2.5 109.279 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 1.3 tptp -43.31 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 4.57 109.28 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.605 ' O ' HG23 ' A' ' 13' ' ' ILE . 2.4 m-20 -62.59 -12.66 24.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 2.38 109.31 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.636 ' N ' ' O ' ' A' ' 8' ' ' TYR . 56.4 t30 37.6 68.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 2.44 109.303 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.766 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.7 pp -145.03 167.03 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.76 109.325 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -117.81 115.58 25.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 1.46 108.304 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HG3' ' CD1' ' A' ' 13' ' ' ILE . 24.0 mttt -99.38 137.41 37.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 3.58 109.292 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.793 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 21.6 p90 -159.13 162.93 36.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.34 110.993 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -66.47 161.31 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 3.45 109.33 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -121.33 40.09 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 3.19 109.325 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 13.0 tt0 68.22 -58.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 3.99 110.279 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -81.69 6.07 16.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 3.54 110.039 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 23' ' ' THR . . . 84.6 -11.31 59.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 2.78 111.04 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 23' ' ' THR . 3.8 mttp -41.58 -28.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 5.63 109.272 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.521 HG22 ' O ' ' A' ' 23' ' ' THR . 0.8 OUTLIER 47.85 101.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 6.33 110.397 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.85 174.62 5.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 2.9 109.263 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.583 ' CG2' HD13 ' A' ' 13' ' ' ILE . 6.4 mt -113.39 156.48 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.89 109.256 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' CYS . 32.6 t -139.37 103.41 4.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 1.93 108.323 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.766 ' HA ' HG22 ' A' ' 13' ' ' ILE . 6.3 mttt -40.6 148.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 3.41 109.305 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.239 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -84.34 128.24 34.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 1.2 108.289 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.607 ' C ' HG23 ' A' ' 30' ' ' VAL . 9.7 t80 -127.33 150.54 49.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 4.96 111.027 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.607 HG23 ' C ' ' A' ' 29' ' ' TYR . 2.3 t 74.87 -69.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 3.18 109.321 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -123.79 121.2 34.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 4.06 109.319 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -61.02 -177.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 6.05 109.311 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -82.72 145.77 51.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 1.34 108.327 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.516 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.01 -43.48 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.74 111.021 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -172.43 148.74 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 4.85 110.293 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -44.19 135.59 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 2.65 109.318 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.76 -23.74 21.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.147 . . . . 0.76 111.047 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.516 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -40.02 119.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.61 109.265 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 1.4 ttpm? -65.31 146.69 54.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 2.95 109.271 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -158.35 160.49 36.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 2.14 108.273 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -124.08 131.63 53.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 2.79 110.351 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.793 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 38.4 t80 -98.28 113.66 25.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.89 111.033 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.608 ' OD2' ' CD2' ' A' ' 45' ' ' TYR . 9.4 t70 -66.58 130.55 43.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 3.32 109.301 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.1 13.48 29.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.19 110.02 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.634 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -109.17 -24.79 10.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 5.46 111.029 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -120.98 -59.63 1.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 3.63 109.297 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.57 14.07 7.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 1.19 111.039 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -79.12 -168.98 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 3.66 109.288 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.06 98.06 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 2.68 108.244 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -77.26 53.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.67 110.998 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 1.239 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.5 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 1.67 108.324 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.317 -0.623 . . . . 1.71 109.317 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.619 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -67.18 136.95 55.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.01 110.41 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 30.1 m-85 -107.86 114.9 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.85 110.986 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -72.38 162.63 29.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 2.35 109.298 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 167.6 -145.31 9.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.097 . . . . 0.41 111.024 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 72.3 mttt -133.86 160.8 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.76 . . . . 1.94 109.319 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.2 p -121.7 161.84 21.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.07 108.3 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 12.0 m-85 -121.41 137.08 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 1.72 111.044 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 7.2 ptmt -83.69 -48.5 10.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 2.82 109.309 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -58.45 -24.83 61.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 3.37 109.313 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.407 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 7.6 m-20 -110.39 -13.9 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 2.19 109.266 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.523 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 10.6 t30 46.5 59.08 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 2.27 109.286 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.908 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -141.55 178.26 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.94 109.277 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' CB ' ' SG ' ' A' ' 49' ' ' CYS . 2.5 t -132.52 112.67 12.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 1.19 108.298 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -94.01 162.78 13.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 3.49 109.327 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.81 ' CZ ' ' HB3' ' A' ' 24' ' ' ALA . 54.1 p90 -178.31 165.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.4 111.008 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -76.16 126.82 31.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 3.33 109.347 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.76 149.04 50.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.71 109.303 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -41.85 -35.86 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 4.91 110.317 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.24 -50.26 34.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 2.8 110.009 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' LYS . . . 151.53 -20.35 0.92 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 3.84 111.001 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 21' ' ' GLY . 4.0 tttm -61.33 -123.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 8.93 109.307 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -161.66 136.19 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 6.68 110.369 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.81 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . . . -129.98 137.27 50.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 3.18 109.273 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.445 ' CG2' HD13 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -98.14 147.61 6.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 2.95 109.292 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.462 ' HG ' ' HD1' ' A' ' 42' ' ' PHE . 37.1 t -139.07 101.3 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 1.85 108.283 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.908 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -39.62 145.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 4.96 109.304 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.101 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 61.6 m -92.14 129.01 38.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 1.28 108.317 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CZ ' ' HE2' ' A' ' 48' ' ' LYS . 2.3 p90 -112.43 132.16 55.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 5.73 111.018 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 32' ' ' LYS . 78.9 t 63.92 -78.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 3.88 109.307 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' TYR . 4.3 mtmt -69.22 63.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 4.76 109.31 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.2 ttpt -44.46 161.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 2.63 109.267 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 36.1 t -68.51 136.89 90.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.23 108.282 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -32.72 5.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.75 111.044 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.469 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 1.6 ptp180 171.77 138.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 4.39 110.284 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.6 m-20 -39.5 133.51 1.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 4.05 109.341 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.42 -16.66 59.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.68 110.951 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.519 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -57.05 121.48 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.55 109.33 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 8.7 tttt -61.59 149.85 37.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 3.48 109.304 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.429 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 1.7 p -167.35 -179.46 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 2.28 108.271 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.582 ' HB2' HG22 ' A' ' 2' ' ' THR . 1.7 pt-20 -146.97 140.45 25.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 3.62 110.275 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.757 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 19.2 t80 -96.77 111.74 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.43 110.985 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.619 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.3 OUTLIER -68.8 137.81 54.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 2.33 109.288 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 p -105.15 -25.19 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 1.59 109.979 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.596 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 2.6 p90 -54.13 -22.26 10.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 7.37 111.012 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 2.6 ptmm? -143.87 -45.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 6.13 109.271 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.86 17.05 5.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 1.02 110.993 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HE2' ' CZ ' ' A' ' 29' ' ' TYR . 0.5 OUTLIER -67.01 -165.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.757 . . . . 3.98 109.31 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -147.75 87.79 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 2.34 108.277 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.529 ' CE1' ' OD2' ' A' ' 43' ' ' ASP . 4.4 m-30 -67.09 68.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 1.52 110.982 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 1.101 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.6 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 1.88 108.281 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.503 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 1.22 109.288 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.577 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -92.23 143.85 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.99 110.413 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.503 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 5.1 m-85 -118.66 124.53 47.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 1.58 111.001 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -89.93 161.94 15.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 2.48 109.311 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 175.14 -135.62 3.13 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.47 110.998 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 61.0 mttt -139.64 165.97 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 2.33 109.348 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 2.0 p -136.81 172.04 13.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 1.0 108.326 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.4 m-85 -135.94 133.08 37.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 1.48 111.019 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.47 -48.82 46.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 2.71 109.33 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -53.34 -54.44 36.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 5.19 109.314 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 13' ' ' ILE . 59.9 m-20 -82.46 -8.41 59.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 2.13 109.298 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 10.4 t30 39.6 56.31 2.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 2.39 109.33 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.806 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.7 pp -141.04 171.32 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.72 109.295 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.93 123.64 35.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 1.31 108.335 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -104.63 131.98 51.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 4.03 109.289 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.631 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 40.0 p90 -156.43 166.07 34.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.17 111.001 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 21' ' ' GLY . 1.7 mtmm -76.41 135.62 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 4.19 109.332 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.77 -170.83 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.77 109.29 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.11 -27.44 68.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 5.71 110.316 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.6 -30.54 41.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 3.08 109.973 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.502 ' O ' ' CE ' ' A' ' 17' ' ' LYS . . . 112.61 -6.72 26.2 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.437 1.086 . . . . 4.27 110.951 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -65.11 -106.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 7.19 109.301 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.6 m -150.28 169.33 21.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 6.92 110.406 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 16' ' ' TYR . . . -174.47 125.73 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 3.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 mt -93.87 134.03 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.94 109.311 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -131.0 97.85 4.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.98 108.28 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.806 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -38.59 144.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 4.69 109.31 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 61.8 m -86.9 115.49 24.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.34 108.274 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.505 ' CD2' HG23 ' A' ' 30' ' ' VAL . 13.9 t80 -102.33 127.86 49.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 5.62 111.013 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.505 HG23 ' CD2' ' A' ' 29' ' ' TYR . 2.2 t 66.26 -73.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 3.24 109.303 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -73.58 61.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 5.41 109.313 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 1.4 ttpt -44.54 159.34 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 2.59 109.332 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.465 ' SG ' ' CA ' ' A' ' 8' ' ' TYR . 27.3 t -67.23 138.94 94.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 1.19 108.271 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -43.38 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.79 110.997 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.3 ptm180 -171.65 144.46 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 5.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -39.47 134.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 2.23 109.308 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 92.8 -24.96 21.58 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.49 1.119 . . . . 0.72 111.033 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.481 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.22 123.58 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 0.745 . . . . 0.58 109.285 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 1.4 tmmt? -71.37 147.67 47.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 2.26 109.285 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 10.8 t -161.42 162.21 30.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 2.31 108.306 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.426 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 1.4 pm0 -126.15 134.17 51.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 2.78 110.337 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.631 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 63.7 t80 -92.71 119.4 32.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.16 110.964 -179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.577 ' HA ' HG23 ' A' ' 2' ' ' THR . 3.0 m-20 -91.47 123.14 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 3.52 109.299 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.3 p -74.3 -16.29 60.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 2.03 110.011 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -54.5 -23.69 17.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 8.01 110.969 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -156.25 -46.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 6.57 109.316 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.544 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 116.39 11.6 9.54 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 2.01 110.994 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 121.31 18.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 6.71 109.312 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -69.06 94.66 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 2.98 108.314 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -71.45 59.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 1.32 110.963 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.3 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 1.62 108.296 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.575 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -71.04 141.38 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.67 110.418 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.575 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 6.5 m-85 -107.65 123.93 49.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.6 110.976 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -91.53 154.12 19.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 2.47 109.321 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -176.43 -140.42 3.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.453 1.095 . . . . 0.48 111.003 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 21.0 mttt -139.51 157.45 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 1.77 109.309 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -125.5 160.57 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.08 108.322 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 6.9 m-85 -115.72 147.0 41.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.4 110.997 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 2.2 ptmt -88.53 -51.49 5.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 2.29 109.277 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -58.21 -21.51 48.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 3.09 109.304 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.433 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -109.99 -24.42 10.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 2.12 109.283 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.587 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 10.5 t30 54.09 53.44 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 2.23 109.324 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.839 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.8 pp -138.17 -179.57 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.81 109.322 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HG ' ' HG ' ' A' ' 40' ' ' CYS . 2.5 t -131.54 125.1 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 1.26 108.316 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HD2' ' CE1' ' A' ' 8' ' ' TYR . 25.9 mttt -108.86 120.93 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 3.59 109.281 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.65 ' CZ ' ' HB3' ' A' ' 24' ' ' ALA . 13.0 p90 -144.77 171.75 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 1.16 110.98 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -77.53 156.3 31.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 3.38 109.279 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.49 164.2 12.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.8 109.274 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -38.68 -71.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 6.28 110.323 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.4 -48.91 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 3.31 110.047 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' LYS . . . 142.38 -13.64 2.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 3.57 111.023 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 21' ' ' GLY . 11.2 ttmm -60.97 -120.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 7.81 109.299 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 16' ' ' TYR . 1.0 OUTLIER -161.8 157.23 23.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 6.03 110.383 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.65 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . . . -142.85 139.79 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 3.56 109.277 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.471 HG23 HD13 ' A' ' 13' ' ' ILE . 2.2 mt -103.26 137.52 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 2.3 109.316 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.8 t -137.71 100.13 4.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 1.77 108.333 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.839 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -42.73 143.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 4.32 109.274 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.78 102.17 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.55 108.26 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CE1' ' CG2' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -89.52 20.86 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 4.76 110.991 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.589 ' CG2' ' CE1' ' A' ' 29' ' ' TYR . 1.7 t -131.45 -145.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 3.67 109.302 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -61.07 108.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 4.94 109.324 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 31' ' ' LYS . 15.0 ttpt -35.88 150.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 3.67 109.334 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.832 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -58.63 140.65 85.07 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.35 108.3 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.97 -19.81 17.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 1.18 111.01 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER 166.0 134.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 5.44 110.306 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.571 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -37.24 131.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 4.36 109.328 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.14 -23.78 24.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.54 110.955 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.832 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -45.62 122.97 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.46 109.307 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 2.8 tmmm? -67.18 148.75 51.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 2.25 109.309 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.47 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 1.3 t -159.48 161.49 35.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 2.19 108.332 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -127.35 134.58 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 3.05 110.311 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 1.2 t80 -100.43 127.55 46.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 1.12 111.015 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.61 ' OD1' ' CE2' ' A' ' 50' ' ' TYR . 8.5 m-20 -82.95 136.57 34.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 3.23 109.306 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.05 -15.21 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.66 110.008 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -60.68 -22.67 64.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 7.72 110.992 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.776 ' HD2' ' HZ1' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -151.2 -46.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 4.69 109.262 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.565 ' HA2' ' CZ ' ' A' ' 42' ' ' PHE . . . 126.94 0.53 7.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.47 1.107 . . . . 1.9 111.016 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.776 ' HZ1' ' HD2' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -42.5 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 3.7 109.266 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -125.01 85.48 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 2.14 108.347 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.61 ' CE2' ' OD1' ' A' ' 43' ' ' ASP . 3.6 m-85 -67.73 64.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 1.87 111.007 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 2.25 108.243 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.276 -0.639 . . . . 1.09 109.276 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.512 HG22 ' HB3' ' A' ' 41' ' ' GLU . 1.6 m -51.56 142.4 14.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.07 110.405 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CB ' ' CD1' ' A' ' 16' ' ' TYR . 30.3 m-85 -111.93 114.54 27.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 1.85 110.979 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.644 HD21 ' HE2' ' A' ' 39' ' ' LYS . 2.9 m-20 -89.54 146.32 24.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 2.44 109.313 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -168.97 -116.64 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.73 110.971 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -148.93 163.82 36.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 1.99 109.316 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.624 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 12.2 p -134.25 158.59 43.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 1.09 108.279 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.511 ' O ' ' N ' ' A' ' 12' ' ' ASN . 8.3 m-85 -124.99 131.21 53.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 1.68 110.991 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -71.0 -51.28 26.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 2.55 109.297 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 9.7 ttpt -51.3 -54.18 28.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 3.38 109.365 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.433 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 4.1 m-20 -81.01 -11.53 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 2.06 109.317 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 4.6 t30 40.85 68.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 2.4 109.261 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.871 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.4 pp -152.02 170.87 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.05 109.3 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -122.3 116.37 23.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 1.35 108.3 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -100.95 155.54 17.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 3.01 109.344 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.757 ' CZ ' ' HB3' ' A' ' 24' ' ' ALA . 47.8 p90 -172.13 166.09 6.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 1.59 111.06 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -76.3 124.04 26.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 3.04 109.321 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 150.41 25.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 1.73 109.278 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -44.1 -37.45 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 4.8 110.3 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.56 -51.16 30.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 2.86 110.023 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 22' ' ' LYS . . . 154.47 -21.33 0.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 3.8 110.98 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -60.99 -125.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 6.65 109.297 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 m -157.62 138.63 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 6.71 110.403 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.757 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . . . -134.46 129.44 35.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 3.22 109.316 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.64 146.97 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 1.84 109.267 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' CD1' ' A' ' 42' ' ' PHE . 49.6 t -128.32 102.04 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.96 108.275 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.871 ' HA ' HG22 ' A' ' 13' ' ' ILE . 21.4 mmmt -39.9 142.85 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 4.81 109.251 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 13' ' ' ILE . 36.8 m -96.03 104.19 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.39 108.322 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.851 ' O ' HG13 ' A' ' 30' ' ' VAL . 2.8 p90 -107.6 35.62 3.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 3.96 110.982 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.851 HG13 ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER 175.28 146.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 2.93 109.348 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' VAL . 2.0 tmtt? 36.5 72.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 6.02 109.27 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -37.53 148.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 2.93 109.314 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -47.48 143.98 5.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 1.27 108.308 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.0 Cg_endo -75.02 -41.49 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.73 110.937 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -174.46 139.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 5.16 110.311 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.64 133.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 2.67 109.286 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.34 -23.95 31.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.76 110.961 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.624 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -45.68 119.62 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.6 109.318 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.644 ' HE2' HD21 ' A' ' 4' ' ' ASN . 0.1 OUTLIER -61.61 148.93 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 2.31 109.297 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 6.2 t -163.31 162.27 25.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 2.22 108.276 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HB3' HG22 ' A' ' 2' ' ' THR . 3.8 mp0 -124.98 143.7 50.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 2.73 110.29 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.63 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 17.3 t80 -107.22 100.4 9.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.55 110.981 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.602 ' OD2' ' CE2' ' A' ' 45' ' ' TYR . 5.1 t70 -62.63 121.19 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 2.88 109.296 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 p -88.08 8.06 28.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 1.41 109.988 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.641 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -98.42 -16.74 19.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 5.74 111.034 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.15 -47.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 4.23 109.267 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.485 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 98.94 21.73 15.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 1.61 110.992 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' CD ' ' OH ' ' A' ' 29' ' ' TYR . 9.7 mtmt -62.69 -110.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 5.78 109.267 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER 163.78 80.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 2.65 108.267 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -65.33 70.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.97 111.008 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' CYS . 3.1 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 3.38 108.299 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.429 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.28 -0.637 . . . . 0.87 109.28 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.698 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -89.77 126.87 35.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.9 110.418 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 2.0 m-30 -96.37 116.2 28.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.8 110.991 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.63 162.01 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 2.08 109.298 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 177.2 -139.28 4.3 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.43 111.033 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' LYS . 48.1 mttm -136.72 155.11 50.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 2.9 109.33 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 40' ' ' CYS . 1.3 p -127.2 159.21 35.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.05 108.292 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.59 ' CD1' HD11 ' A' ' 13' ' ' ILE . 7.0 m-85 -122.51 138.37 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.53 110.977 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.1 ptmt -82.27 -46.03 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 2.17 109.292 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -59.7 -22.3 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 3.06 109.268 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.548 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.9 m-20 -115.97 -8.8 11.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 2.53 109.31 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 8' ' ' TYR . 9.6 t30 38.26 64.76 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 2.26 109.362 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.867 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -139.21 -178.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 1.01 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -133.65 103.51 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 1.86 108.296 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -94.79 140.39 29.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 3.08 109.334 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.738 ' CE1' ' CG2' ' A' ' 23' ' ' THR . 0.0 OUTLIER -164.12 -169.34 1.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 2.79 110.993 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.9 mttt -122.13 94.01 4.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 3.25 109.337 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.73 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -36.37 153.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 1.79 109.279 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.543 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -57.77 -21.42 41.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 4.35 110.312 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.26 -6.98 12.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 2.57 110.002 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.32 11.85 82.86 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.451 1.094 . . . . 2.49 110.991 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -81.99 -57.65 3.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 5.31 109.298 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.738 ' CG2' ' CE1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -59.35 178.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 5.32 110.369 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 167.27 124.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 2.91 109.273 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.561 HG23 ' HG3' ' A' ' 15' ' ' LYS . 0.8 OUTLIER 61.8 129.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.97 109.304 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 t -147.14 105.21 3.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 1.37 108.323 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.867 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -36.06 139.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 5.32 109.337 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 m -90.6 117.33 29.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.36 108.28 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.542 ' CD1' HG13 ' A' ' 30' ' ' VAL . 8.4 p90 -103.66 9.27 37.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 4.28 111.0 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.651 HG23 ' N ' ' A' ' 31' ' ' LYS . 8.1 m -125.79 -143.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 4.2 109.272 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.651 ' N ' HG23 ' A' ' 30' ' ' VAL . 2.4 mtpt -48.39 96.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 3.69 109.318 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.2 ttpt -37.41 153.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 2.9 109.293 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 8.5 t -64.94 140.5 98.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 1.35 108.269 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.05 -36.37 2.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.63 110.948 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 2.6 ptp180 -178.18 152.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 5.61 110.263 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.427 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -48.87 129.0 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 2.34 109.294 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.52 -26.61 23.55 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.528 1.143 . . . . 0.46 110.957 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.484 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.31 122.01 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.42 109.287 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 4.2 tmtt? -63.94 150.15 45.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 2.46 109.288 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.427 ' HG ' ' N ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -156.18 177.84 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 2.43 108.304 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.2 pm0 -153.43 146.89 24.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 3.11 110.283 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -113.58 110.63 20.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.38 110.984 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.698 ' HA ' HG23 ' A' ' 2' ' ' THR . 12.0 t0 -77.12 128.76 35.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 2.86 109.269 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 p -92.3 -8.16 45.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.22 110.037 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.561 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -58.52 -17.55 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 7.04 111.005 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.497 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 17.9 mtpt -142.21 -61.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 3.7 109.331 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.79 42.93 0.25 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.519 1.137 . . . . 1.86 110.963 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -121.67 148.34 44.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 6.31 109.296 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -86.23 105.32 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 1.94 108.268 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -81.1 67.49 7.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.5 111.061 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 2.12 108.282 -179.934 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.596 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 1.18 109.328 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.459 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -63.61 150.5 43.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.78 110.408 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 56.0 m-85 -120.21 123.71 43.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 1.63 110.996 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.616 HD22 ' N ' ' A' ' 4' ' ' ASN . 1.1 m-80 -84.66 144.98 28.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 2.25 109.292 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -168.37 -137.98 2.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.47 111.023 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 29.3 mttp -145.83 159.29 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 3.02 109.313 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.6 p -122.76 166.37 15.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 1.08 108.305 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.573 ' CE1' ' HD2' ' A' ' 15' ' ' LYS . 6.3 m-85 -127.42 136.75 52.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 1.74 110.968 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 35' ' ' ARG . 7.6 ptmt -85.16 -48.83 8.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 3.03 109.284 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -54.37 -28.33 42.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 3.46 109.319 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 15.7 m-20 -110.09 -15.09 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 2.13 109.293 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.472 ' OD1' ' CG ' ' A' ' 32' ' ' LYS . 3.4 t30 49.52 60.53 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 3.14 109.302 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.901 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -144.72 166.28 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.78 109.336 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.524 ' HG ' ' HG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -122.46 118.11 27.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 1.19 108.285 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.683 ' HG2' HG23 ' A' ' 25' ' ' ILE . 5.3 mtpm? -104.47 139.19 39.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 4.15 109.3 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.808 ' CE1' ' CD2' ' A' ' 42' ' ' PHE . 47.5 p90 -152.84 161.3 42.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.61 110.975 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 9.2 mtpp -75.77 135.83 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 3.28 109.301 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -94.59 41.21 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 3.02 109.329 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 4.3 tm0? 67.98 -58.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 5.22 110.284 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -65.84 -13.72 60.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 2.84 109.976 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 23' ' ' THR . . . 97.13 -17.24 59.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 2.83 111.039 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 23' ' ' THR . 3.8 mmtm -40.52 -29.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 7.69 109.271 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 23' ' ' THR . 0.8 OUTLIER 47.06 101.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 6.13 110.372 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.72 176.72 5.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 2.8 109.3 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.683 HG23 ' HG2' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -110.71 156.78 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 2.85 109.286 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.99 101.85 3.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.8 108.29 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.901 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -39.9 145.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 3.44 109.308 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.498 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 88.5 m -89.47 85.62 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.53 108.343 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.657 ' O ' HG13 ' A' ' 30' ' ' VAL . 29.2 p90 -107.04 46.2 0.94 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 5.34 110.985 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.915 HG11 ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -165.38 -66.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 3.97 109.28 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' H ' HG23 ' A' ' 30' ' ' VAL . 2.1 mptm? -115.53 105.98 13.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 4.19 109.311 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 12.0 ttpt -50.94 152.46 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 3.69 109.266 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 46.7 t -80.55 134.34 54.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 1.2 108.299 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.492 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -35.15 3.3 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.79 111.029 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.474 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 5.0 ptm180 172.79 144.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 5.31 110.293 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.559 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.5 m-20 -43.69 136.69 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 3.96 109.308 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.05 -17.3 59.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.77 111.005 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.592 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -55.08 118.18 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.65 109.31 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 9.5 tttt -62.08 148.85 42.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 3.47 109.267 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.524 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 1.8 t -160.78 160.73 31.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 2.26 108.265 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -121.23 118.91 30.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 2.77 110.283 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.808 ' CD2' ' CE1' ' A' ' 16' ' ' TYR . 9.0 t80 -84.75 107.34 16.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 1.06 110.992 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.619 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 4.4 t0 -68.31 132.03 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 2.43 109.343 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.572 ' HG ' ' HE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -93.02 -13.28 28.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 2.02 109.993 -179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.619 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -65.21 -9.34 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 7.53 110.988 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HE2' ' CZ ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -159.32 -44.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 3.82 109.328 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 110.87 21.17 6.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 1.4 111.0 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.915 ' CE ' HG11 ' A' ' 30' ' ' VAL . 1.3 tttt -66.36 -167.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 5.11 109.245 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -140.59 90.45 2.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 2.75 108.283 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -76.72 60.9 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 1.59 110.988 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.498 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.9 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 1.8 108.272 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.546 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.341 -0.614 . . . . 1.08 109.341 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 141.24 48.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 1.01 110.38 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.546 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 10.7 m-85 -109.17 117.73 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 1.71 110.975 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.12 149.92 24.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 2.22 109.295 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -178.16 -134.04 2.0 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.57 110.991 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 16.0 mttp -141.84 161.75 37.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 2.49 109.289 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.488 ' C ' ' HG ' ' A' ' 33' ' ' CYS . 3.8 p -132.47 155.53 48.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.97 108.286 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 12' ' ' ASN . 15.5 m-30 -114.62 135.22 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 2.57 110.989 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.7 ptmt -81.56 -46.27 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 2.1 109.319 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -56.96 -29.96 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 4.18 109.308 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 13' ' ' ILE . 9.5 m-20 -107.52 -11.72 15.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 2.5 109.281 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 8' ' ' TYR . 15.0 t30 46.2 59.43 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 2.29 109.283 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.948 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.8 pp -144.63 161.14 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 1.02 109.311 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.52 132.27 55.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.28 108.289 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.81 173.44 9.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 5.02 109.279 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.482 ' CE1' ' HB3' ' A' ' 24' ' ' ALA . 21.1 p90 176.46 -169.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 1.35 110.974 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.47 120.82 41.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 5.46 109.319 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.53 172.58 9.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.85 109.281 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -55.59 -39.38 70.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 3.91 110.297 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -44.95 74.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 3.18 109.999 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.87 -11.26 7.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 4.11 110.993 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -73.28 -114.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 8.02 109.29 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 16' ' ' TYR . 12.1 m -161.23 150.96 16.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 6.86 110.423 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.482 ' HB3' ' CE1' ' A' ' 16' ' ' TYR . . . -144.3 130.8 19.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 3.15 109.244 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.3 mt -105.65 147.78 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 1.62 109.297 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -142.74 108.75 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.63 108.291 179.97 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.948 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -38.1 144.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 4.92 109.32 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 14.3 m -97.61 126.12 42.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.37 108.354 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.608 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -82.65 -143.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 6.86 110.984 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.608 ' N ' ' CG ' ' A' ' 29' ' ' TYR . 77.2 t -31.98 -85.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 4.18 109.253 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.3 93.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 4.37 109.28 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' VAL . 14.7 ttpt -74.5 162.72 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 2.97 109.321 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.488 ' HG ' ' C ' ' A' ' 7' ' ' CYS . 2.4 t -74.3 141.86 77.76 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 1.25 108.319 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.5 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -37.87 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.519 1.799 . . . . 0.89 110.974 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -178.56 147.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 4.43 110.305 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -44.85 127.98 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 2.67 109.312 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.67 -18.25 53.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.95 111.011 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.5 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -49.57 119.36 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.77 109.309 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 15.4 ttmt -63.93 147.95 50.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 3.58 109.314 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.428 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 8.7 p -162.59 167.31 23.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 1.94 108.239 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -133.21 123.79 26.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 2.92 110.307 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE1' ' HA2' ' A' ' 47' ' ' GLY . 9.4 t80 -88.89 115.99 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 1.02 110.967 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.49 ' HB3' ' CD2' ' A' ' 45' ' ' TYR . 1.6 m-20 -74.52 117.54 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 3.01 109.334 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.471 ' HG ' ' HE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -78.91 2.0 21.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 3.2 109.973 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.49 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 3.4 m-85 -75.12 -45.94 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 5.19 110.995 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.52 -43.03 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 3.5 109.292 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 115.61 18.65 6.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 1.59 110.979 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -71.73 174.24 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 4.35 109.289 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.5 OUTLIER -122.16 121.04 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 3.54 108.293 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -108.07 77.49 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.83 110.994 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.89 108.318 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.92 109.312 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.545 HG22 ' HB2' ' A' ' 41' ' ' GLU . 1.2 m -71.53 141.84 50.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.77 110.394 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.45 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 67.4 m-85 -111.25 117.6 33.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.49 111.001 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.83 141.83 35.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 2.1 109.357 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -167.95 -155.87 9.71 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.8 110.985 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 12.3 mttt -128.39 166.92 17.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 1.97 109.292 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -132.62 172.39 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.99 108.294 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.52 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 7.8 m-85 -137.78 135.92 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.59 110.99 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -58.46 -71.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 3.11 109.348 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' LYS . 2.6 ttmm -39.35 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.23 109.317 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.589 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -52.5 -21.4 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 2.42 109.285 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 7.0 t30 40.35 63.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 2.23 109.359 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.979 HD13 HG23 ' A' ' 25' ' ' ILE . 2.8 pp -141.49 -174.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.95 109.286 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' CYS . 2.6 t -135.76 107.72 7.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.24 108.288 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.457 ' HG3' ' CD1' ' A' ' 13' ' ' ILE . 48.2 mttt -89.2 130.13 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 3.26 109.293 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.758 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 4.9 p90 -149.62 162.91 39.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.46 111.017 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -70.36 153.35 43.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 2.85 109.318 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -113.08 40.43 2.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 3.21 109.286 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.418 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER 67.98 -58.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 5.49 110.262 179.94 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -74.56 -2.94 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 3.37 109.967 -179.976 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 23' ' ' THR . . . 89.83 -11.21 71.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 2.92 110.987 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 23' ' ' THR . 1.7 mmmp? -41.62 -28.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.746 . . . . 5.13 109.283 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 23' ' ' THR . 0.8 OUTLIER 44.89 99.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 6.42 110.376 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.62 -178.56 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 2.48 109.279 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.979 HG23 HD13 ' A' ' 13' ' ' ILE . 5.1 mt -108.33 148.01 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 2.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -133.5 102.56 5.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.99 108.304 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.921 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -39.74 146.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 5.68 109.301 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 7.6 m -80.05 -177.74 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 1.76 108.268 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.881 ' CD2' HG23 ' A' ' 30' ' ' VAL . 18.6 t80 179.37 155.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 4.57 111.003 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.881 HG23 ' CD2' ' A' ' 29' ' ' TYR . 17.4 t 66.13 -74.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 3.51 109.315 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' TYR . 7.1 mmtt -114.54 90.25 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 5.02 109.324 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -42.71 163.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 3.75 109.269 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 39.3 t -58.43 136.34 85.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 1.26 108.346 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.96 -34.27 4.0 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.67 111.02 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 176.06 144.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 4.39 110.276 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.28 134.33 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.42 1.075 . . . . 2.43 109.26 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 94.98 -26.8 17.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.54 111.011 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.479 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -39.99 121.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.44 109.324 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 20.1 ttpt -69.21 147.74 50.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 2.3 109.298 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 17.0 t -159.95 162.0 34.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 2.38 108.27 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.545 ' HB2' HG22 ' A' ' 2' ' ' THR . 0.4 OUTLIER -128.61 131.67 48.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 2.87 110.294 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.758 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 51.8 t80 -93.87 105.71 17.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.93 111.031 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.464 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.8 OUTLIER -67.09 119.38 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 4.03 109.296 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.59 2.61 24.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.35 109.977 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 43' ' ' ASP . 2.3 m-85 -74.64 -37.71 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 5.17 110.998 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -129.59 -50.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 3.04 109.296 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.523 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 118.53 35.21 1.01 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 1.13 111.002 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -94.42 -172.21 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 3.35 109.279 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.88 104.29 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 2.89 108.319 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -84.25 46.7 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 2.44 111.028 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.5 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 1.98 108.282 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.674 ' HB3' ' HE1' ' A' ' 45' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.264 -0.643 . . . . 1.56 109.264 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.701 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -72.66 122.16 20.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.99 110.375 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 18' ' ' ALA . 6.5 m-85 -88.17 118.0 27.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 1.66 111.013 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -88.7 160.49 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 2.29 109.281 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.98 -135.89 2.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.45 111.005 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 73.6 mttt -152.58 148.43 27.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 1.89 109.305 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.495 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 13.0 t -123.46 154.71 38.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 3.25 108.324 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.837 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.6 m-30 -117.42 123.89 47.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 2.2 110.998 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.457 ' N ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -46.36 -60.86 2.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 2.57 109.299 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -45.11 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 3.66 109.299 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.687 ' O ' HG23 ' A' ' 13' ' ' ILE . 27.2 m-20 -62.77 -13.2 30.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 2.65 109.321 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.837 ' N ' ' O ' ' A' ' 8' ' ' TYR . 46.7 t30 31.93 61.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 2.99 109.292 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.936 ' O ' HD12 ' A' ' 13' ' ' ILE . 1.8 pp -138.92 145.16 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.17 109.315 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 0.5 OUTLIER -82.2 94.04 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.72 108.321 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' HG2' ' CG1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -88.77 108.05 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 4.31 109.322 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.522 ' OH ' ' CD1' ' A' ' 42' ' ' PHE . 55.4 p90 -153.45 -179.61 7.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.19 111.049 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.664 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 1.2 mmpt? -77.0 -128.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 3.28 109.319 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . 164.45 43.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 2.69 109.333 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 12.2 tt0 67.32 -59.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 3.66 110.299 -179.93 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -102.74 12.94 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 2.35 109.958 -179.951 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.61 10.72 38.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 2.64 110.982 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -58.67 -77.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 6.09 109.33 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.624 HG23 ' N ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -52.94 177.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 5.56 110.406 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 23' ' ' THR . . . 171.45 115.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 2.71 109.302 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.718 HG23 HD13 ' A' ' 13' ' ' ILE . 10.1 mt 72.18 138.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 1.61 109.266 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' LYS . 48.8 t -159.09 112.07 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 1.52 108.283 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.835 ' HA ' HG22 ' A' ' 13' ' ' ILE . 3.0 mtpt -37.06 141.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 4.58 109.315 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.09 89.84 8.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.58 108.292 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 5.3 p90 -59.64 130.85 48.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 5.2 111.005 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.631 HG12 ' N ' ' A' ' 31' ' ' LYS . 6.3 t 59.74 -84.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 4.53 109.268 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.631 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -42.96 164.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 4.51 109.313 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -139.2 150.06 45.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 2.7 109.332 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.872 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -79.07 140.72 57.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 1.6 108.288 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.491 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.01 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.98 110.997 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -167.51 142.68 3.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 3.84 110.265 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.74 139.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 2.81 109.297 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 95.96 -25.59 24.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.55 111.043 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.872 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -38.64 115.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.44 109.279 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.83 148.86 37.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 2.3 109.309 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.48 157.77 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 2.48 108.291 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.402 ' HB2' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER -130.59 150.67 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 4.79 110.288 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.522 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 64.6 t80 -117.48 107.73 14.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.91 110.993 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.701 ' HA ' HG23 ' A' ' 2' ' ' THR . 3.4 t70 -68.85 122.86 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 2.86 109.307 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -91.98 17.33 9.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 1.45 110.01 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.674 ' HE1' ' HB3' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -107.0 -17.28 14.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 6.44 111.002 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -123.24 -56.66 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 4.46 109.326 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.91 28.71 2.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.446 1.091 . . . . 1.57 111.03 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.0 mtmm -109.7 171.06 7.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 3.46 109.312 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.64 99.09 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 2.36 108.329 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -73.98 82.89 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 1.35 110.98 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.97 108.301 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.285 -0.635 . . . . 1.3 109.285 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.84 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -98.67 124.23 43.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.98 110.348 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.607 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -93.06 124.72 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.73 111.007 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -89.66 164.41 14.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 2.15 109.297 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.83 -141.15 5.49 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.45 111.03 179.937 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 18.3 mttt -142.23 159.98 41.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 1.83 109.258 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -132.15 153.98 49.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 1.12 108.279 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.521 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 18.2 m-30 -114.49 153.6 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 2.07 110.999 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -93.48 -48.04 6.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 2.47 109.304 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -55.51 -26.13 41.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 3.42 109.234 -179.956 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.757 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -113.91 -12.57 12.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 2.25 109.296 -179.964 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 34.5 t30 42.81 60.41 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 2.52 109.285 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.983 HD13 HG23 ' A' ' 25' ' ' ILE . 2.7 pp -135.85 -179.4 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.83 109.299 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 6.9 t -134.65 104.62 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.31 108.272 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 8' ' ' TYR . 10.6 ptmt -97.4 128.47 44.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 3.69 109.298 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.752 ' CE2' HG21 ' A' ' 23' ' ' THR . 1.4 p90 -156.59 174.64 15.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.09 110.992 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.05 99.73 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 4.01 109.282 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.811 ' HB2' ' CG2' ' A' ' 23' ' ' THR . . . -47.11 165.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 1.83 109.355 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.557 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -58.44 -35.45 72.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 3.68 110.313 -179.999 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.36 0.52 15.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 2.61 109.993 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.62 2.07 74.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.135 . . . . 2.9 110.978 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -38.65 91.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 5.79 109.327 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.811 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -79.88 -174.53 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 5.3 110.427 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.725 ' N ' HG23 ' A' ' 23' ' ' THR . . . 162.25 117.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 2.69 109.309 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.983 HG23 HD13 ' A' ' 13' ' ' ILE . 2.7 mt 61.11 138.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 2.02 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' LYS . 27.4 t -156.08 112.45 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.45 108.287 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.718 ' HA ' HG22 ' A' ' 13' ' ' ILE . 27.7 mttt -33.14 139.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 3.6 109.284 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -67.08 -165.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.95 108.281 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -126.23 -159.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 4.11 110.98 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.587 HG23 ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -39.45 -75.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 4.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.587 ' H ' HG23 ' A' ' 30' ' ' VAL . 15.8 mttt -62.03 91.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 3.7 109.263 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 14.7 mtmt -48.62 173.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 3.59 109.299 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -74.78 143.26 78.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.38 108.29 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.467 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.2 Cg_endo -75.02 -44.03 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.89 110.997 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.9 OUTLIER -170.18 137.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 5.27 110.303 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.517 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.94 131.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 2.43 109.296 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 107.17 -26.83 17.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.72 111.005 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.549 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -38.3 120.32 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.63 109.346 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 151.05 47.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 3.39 109.335 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 1.3 p -155.25 174.41 15.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 2.24 108.298 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.2 pm0 -146.61 133.9 20.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 2.93 110.335 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.434 ' CD2' ' OH ' ' A' ' 16' ' ' TYR . 55.3 t80 -94.93 107.54 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.09 110.981 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.84 ' HA ' HG23 ' A' ' 2' ' ' THR . 4.2 t0 -78.32 136.44 37.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 3.05 109.347 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 p -98.5 -10.34 23.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 1.37 109.958 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.6 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -65.86 -10.92 42.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 6.59 111.025 179.983 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 22.0 mttt -149.41 -55.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 3.33 109.334 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.87 34.05 1.44 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 1.31 111.043 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.443 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -86.94 -157.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 3.68 109.291 -179.948 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.766 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -152.91 85.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.99 108.284 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -67.6 82.84 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 1.36 111.027 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.1 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 2.01 108.284 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.778 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -82.28 138.8 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.92 110.398 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 9.8 m-85 -110.61 117.38 33.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 1.68 111.0 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -88.94 157.43 18.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 2.51 109.309 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -179.78 -129.14 1.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.51 110.976 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 13.5 mttt -142.57 168.64 19.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 0.788 . . . . 2.33 109.316 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.6 p -140.84 155.01 46.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 1.03 108.299 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.741 ' HD2' HD11 ' A' ' 13' ' ' ILE . 38.0 m-85 -117.39 125.95 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 2.04 111.017 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -65.18 -48.64 72.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 2.58 109.349 179.949 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 2.9 tttm -51.99 -60.0 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 3.36 109.308 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.943 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.7 m-20 -78.97 -3.85 47.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 2.62 109.322 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.592 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.3 t30 36.83 58.96 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 2.25 109.319 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.943 HG23 ' O ' ' A' ' 11' ' ' ASP . 2.6 pp -136.79 179.29 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.75 109.35 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.84 114.22 14.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.28 108.272 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.621 ' HD2' ' CE2' ' A' ' 8' ' ' TYR . 6.7 ptmm? -95.54 124.03 39.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 4.67 109.306 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.604 ' CD2' ' O ' ' A' ' 17' ' ' LYS . 18.2 p90 -150.52 173.26 14.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.26 110.978 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.604 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 4.6 mttt -72.23 163.26 28.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 3.38 109.309 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.727 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . . . -112.46 37.04 3.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 3.62 109.277 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.409 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER 67.18 -59.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 5.21 110.294 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -45.66 -32.97 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 2.83 109.976 179.963 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.34 -11.31 9.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 4.06 111.032 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -73.81 -113.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 8.03 109.277 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.5 m -158.26 165.74 34.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 7.01 110.441 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.727 ' HB2' ' HB2' ' A' ' 18' ' ' ALA . . . -166.79 126.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 2.84 109.314 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.776 ' CG2' HD13 ' A' ' 13' ' ' ILE . 2.0 mt -104.23 136.89 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.63 109.305 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' LYS . 26.3 p -132.66 109.23 9.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 2.74 108.338 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.845 ' HA ' HG22 ' A' ' 13' ' ' ILE . 23.8 mtmt -39.11 154.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 3.43 109.276 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.062 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.7 m -95.65 151.38 19.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.16 108.289 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -86.64 -166.29 1.52 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 4.14 110.986 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -36.47 -54.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 4.9 109.311 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.35 79.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 4.58 109.331 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' VAL . 18.6 ttpt -54.52 155.19 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 3.29 109.342 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 8' ' ' TYR . 1.7 m -66.56 150.04 97.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 2.87 108.298 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.05 -46.19 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.8 110.954 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.478 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.7 ptt85 -172.95 138.07 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 3.82 110.277 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.478 ' C ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -33.35 135.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 2.26 109.343 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.35 -25.29 25.12 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.67 111.01 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -40.67 121.62 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 0.738 . . . . 0.52 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 16.4 ttpt -66.83 146.35 54.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 2.47 109.306 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 1.3 p -153.49 179.37 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 2.21 108.288 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.0 pm0 -147.8 139.86 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 3.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CD1' ' CD2' ' A' ' 3' ' ' TYR . 33.4 t80 -103.57 108.24 19.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 1.16 111.002 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.778 ' HA ' HG23 ' A' ' 2' ' ' THR . 4.4 t0 -74.71 132.45 41.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 2.8 109.298 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 p -95.44 -1.03 51.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 1.34 109.992 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -72.09 -13.67 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 7.35 111.027 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 21.4 mttt -147.9 -62.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 3.34 109.293 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.59 41.21 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 1.45 110.999 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -161.48 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 4.46 109.348 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' CYS . 12.5 t -140.56 90.3 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 2.25 108.29 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.07 59.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.21 110.992 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 1.062 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 4.4 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 2.23 108.296 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 0.89 109.3 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.644 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -80.69 145.56 31.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 110.413 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.54 ' CE1' ' HB2' ' A' ' 19' ' ' GLN . 10.9 m-85 -117.99 116.31 26.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 1.61 110.995 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.411 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -86.01 155.94 20.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.97 109.325 179.952 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -173.04 -136.89 2.26 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.51 111.016 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 32.6 mttt -144.55 158.98 43.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.787 . . . . 2.07 109.283 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.5 p -131.94 171.87 13.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.04 108.329 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.555 ' HD2' HD11 ' A' ' 13' ' ' ILE . 77.9 m-85 -139.05 134.85 33.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 2.18 110.976 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.4 mttt -56.58 -72.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 3.74 109.294 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -38.4 -77.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 4.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.795 ' O ' HG23 ' A' ' 13' ' ' ILE . 54.6 m-20 -51.34 -22.18 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 2.38 109.316 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 6.0 t30 41.27 61.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 2.26 109.305 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.856 HD13 HG23 ' A' ' 25' ' ' ILE . 2.0 pp -138.9 177.95 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.83 109.285 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.317 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 24.3 t -129.84 99.72 5.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 1.16 108.249 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 25' ' ' ILE . 0.4 OUTLIER -93.52 137.27 32.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 3.05 109.291 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.655 ' CE2' HG21 ' A' ' 23' ' ' THR . 3.0 p90 -165.51 -176.58 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 1.06 110.984 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.404 ' NZ ' ' HA3' ' A' ' 21' ' ' GLY . 1.8 tmtt? -108.59 111.14 22.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 4.13 109.322 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.744 ' HB2' ' CG2' ' A' ' 23' ' ' THR . . . -61.96 166.17 4.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 1.81 109.259 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 2.4 tm0? -56.09 -36.46 68.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 4.14 110.346 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.49 2.28 15.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 2.62 109.984 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.404 ' HA3' ' NZ ' ' A' ' 17' ' ' LYS . . . 76.19 -0.75 62.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 2.9 111.019 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -39.79 82.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 0.781 . . . . 5.95 109.286 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.744 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -80.26 -177.96 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 5.32 110.363 -179.944 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 163.16 114.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 2.68 109.297 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.856 HG23 HD13 ' A' ' 13' ' ' ILE . 4.3 mt 61.19 139.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.96 109.315 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 27' ' ' LYS . 35.2 t -157.62 115.31 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 1.71 108.296 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.745 ' HA ' HG22 ' A' ' 13' ' ' ILE . 5.6 mtpt -35.74 136.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 4.54 109.294 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.41 ' SG ' ' C ' ' A' ' 13' ' ' ILE . 58.5 m -89.34 131.22 35.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.42 108.306 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.51 ' CZ ' ' HG2' ' A' ' 48' ' ' LYS . 2.9 p90 -114.33 133.55 55.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 4.42 110.993 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.597 HG12 ' N ' ' A' ' 31' ' ' LYS . 3.2 t 64.09 -78.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 3.85 109.293 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.597 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -68.79 65.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 4.57 109.299 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -50.06 164.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 3.36 109.29 -179.978 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.494 ' SG ' ' CA ' ' A' ' 8' ' ' TYR . 36.2 t -69.7 135.86 88.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.27 108.298 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.581 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -35.12 3.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 1.01 111.007 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.517 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 10.2 ptt180 179.32 145.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 4.73 110.276 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.486 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.73 135.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 2.94 109.273 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 88.62 -23.84 14.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.6 111.004 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.581 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -39.29 121.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.776 . . . . 0.44 109.318 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -70.27 147.82 49.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 2.24 109.323 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 1.219 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 40.1 t -153.66 161.98 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 2.24 108.313 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -131.49 135.3 46.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 2.71 110.278 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -98.86 110.95 23.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.96 110.979 -179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.644 ' HA ' HG23 ' A' ' 2' ' ' THR . 2.3 t0 -77.0 134.03 38.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 2.9 109.297 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.5 p -95.4 -11.72 27.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.2 109.972 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -63.85 -10.81 22.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 6.86 110.977 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 11.1 mttt -147.4 -56.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 3.26 109.279 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.78 42.39 0.8 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 1.31 111.011 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -104.63 -161.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 3.23 109.271 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -139.24 94.83 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 2.1 108.302 179.947 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 10.9 m-85 -77.57 52.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.2 110.978 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 1.317 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 82.4 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 2.9 108.315 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.265 -0.643 . . . . 0.89 109.265 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.71 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.3 m -82.99 146.88 28.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.79 110.416 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 1.8 m-30 -106.51 177.41 4.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.64 110.997 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.77 151.09 44.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 2.34 109.274 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.28 -143.33 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 0.41 110.99 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' LYS . 48.0 mttt -143.88 146.25 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 1.98 109.33 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.9 p -117.23 153.27 33.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 1.13 108.304 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 12' ' ' ASN . 8.1 m-30 -113.83 139.11 49.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 2.18 110.986 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -78.35 -47.32 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 2.54 109.306 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -52.84 -39.98 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 2.97 109.322 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.672 ' O ' HG23 ' A' ' 13' ' ' ILE . 87.6 m-20 -101.91 -5.54 24.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 2.24 109.336 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 8' ' ' TYR . 22.2 t30 38.96 51.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 2.58 109.308 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.01 HD13 HG23 ' A' ' 25' ' ' ILE . 2.8 pp -135.36 154.38 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.89 109.315 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 9.0 t -102.2 108.64 20.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.29 108.308 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -94.69 129.85 41.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 3.82 109.326 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.716 ' CE2' HG21 ' A' ' 23' ' ' THR . 2.1 p90 -164.96 158.49 17.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 1.13 110.995 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.747 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 24.4 mmtt -56.59 -103.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 4.02 109.325 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . 156.81 159.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 1.87 109.258 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 8.3 tt0 -53.6 -19.2 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 4.9 110.323 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.48 17.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 2.35 110.024 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.52 24.38 61.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 2.48 110.976 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -90.18 -43.76 10.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 5.49 109.288 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.719 HG23 ' N ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -68.37 -176.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 5.12 110.346 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.719 ' N ' HG23 ' A' ' 23' ' ' THR . . . 169.65 121.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 2.97 109.291 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.01 HG23 HD13 ' A' ' 13' ' ' ILE . 8.7 mt 61.21 142.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 1.75 109.282 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' CYS . 35.4 t -157.04 103.97 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 1.33 108.279 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.823 ' HA ' HG22 ' A' ' 13' ' ' ILE . 19.4 ttpt -36.36 151.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 4.01 109.307 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.17 100.54 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.31 108.289 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.556 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -92.56 12.39 23.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 3.92 111.022 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.689 HG21 ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -114.87 -104.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 4.44 109.311 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.495 ' H ' HG23 ' A' ' 30' ' ' VAL . 1.9 ttmt -106.98 124.58 49.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 3.53 109.263 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.499 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 11.5 ttpt -39.6 148.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 4.19 109.312 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' N ' ' HG2' ' A' ' 32' ' ' LYS . 3.5 m -70.16 148.09 95.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 2.98 108.308 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.518 ' HG2' ' HB2' ' A' ' 38' ' ' ALA . 18.0 Cg_endo -75.07 -50.4 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.769 . . . . 0.67 111.02 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.9 ptt180 -169.25 142.28 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 3.63 110.267 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.468 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.35 125.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 2.78 109.323 179.935 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.81 -24.1 20.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.51 110.975 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.518 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . . . -42.61 117.35 1.01 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 0.732 . . . . 0.44 109.285 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 4.4 tttt -58.98 149.25 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 2.89 109.253 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.425 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 25.1 t -159.38 161.97 35.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 2.17 108.331 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 1.3 pm0 -138.51 137.81 37.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 2.88 110.307 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CD1' ' CE2' ' A' ' 3' ' ' TYR . 22.1 t80 -97.78 118.62 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.08 111.023 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.71 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.1 m-20 -84.63 135.28 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 2.82 109.305 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.0 p -96.02 11.33 34.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 1.32 110.012 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -84.8 -34.67 22.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 5.51 110.997 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HE3' ' HZ2' ' A' ' 48' ' ' LYS . 14.0 mtmt -131.87 -45.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 3.19 109.283 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.86 19.04 5.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.99 110.974 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HZ2' ' HE3' ' A' ' 46' ' ' LYS . 39.3 mttt -68.78 -167.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 4.5 109.303 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.689 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -144.39 89.54 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 2.13 108.322 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 36.4 m-85 -66.69 68.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.5 111.004 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 49' ' ' CYS . 6.9 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.81 108.353 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.287 -0.635 . . . . 1.36 109.287 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.915 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -97.02 121.74 39.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.94 110.439 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 21.1 m-85 -83.7 122.43 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 1.71 110.999 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.5 160.01 20.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 2.25 109.307 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.97 -154.78 14.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.74 111.004 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 31.2 mttt -138.49 156.96 47.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 2.22 109.274 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -127.98 151.87 48.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 1.14 108.324 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.568 ' CE2' ' HE3' ' A' ' 15' ' ' LYS . 17.2 m-30 -115.19 146.07 41.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 2.12 110.974 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.477 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -83.99 -45.84 12.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 2.16 109.327 179.968 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 1.6 tttt -58.27 -25.37 61.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 4.24 109.307 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.822 ' O ' HG23 ' A' ' 13' ' ' ILE . 6.2 m-20 -113.71 -11.21 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 2.38 109.317 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.522 ' OD1' ' CG ' ' A' ' 32' ' ' LYS . 4.9 t30 39.39 56.03 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 2.94 109.285 -180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.005 HD13 HG23 ' A' ' 25' ' ' ILE . 2.9 pp -133.6 172.89 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.8 109.265 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -125.33 104.09 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 1.94 108.304 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.568 ' HE3' ' CE2' ' A' ' 8' ' ' TYR . 9.3 ptpt -97.23 136.25 38.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 3.02 109.304 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.67 ' CZ ' HG21 ' A' ' 23' ' ' THR . 3.7 p90 -171.23 172.25 5.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.12 110.964 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 3' ' ' TYR . 9.7 mmmt -96.61 134.32 40.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 3.46 109.264 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.677 ' HB2' ' CB ' ' A' ' 23' ' ' THR . . . -90.83 37.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 2.74 109.327 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 3.9 tp-100 67.1 -59.62 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 5.41 110.306 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -90.19 6.28 43.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 2.42 110.029 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.31 0.22 61.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 3.16 110.958 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -52.09 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 7.54 109.322 -179.987 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.677 ' CB ' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -50.38 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 5.73 110.36 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 164.86 120.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 2.63 109.281 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.005 HG23 HD13 ' A' ' 13' ' ' ILE . 2.1 mt 61.49 135.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.81 109.296 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.512 ' O ' ' C ' ' A' ' 27' ' ' LYS . 10.6 t -155.75 111.17 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 1.51 108.275 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.696 ' HA ' HG22 ' A' ' 13' ' ' ILE . 13.9 mttt -31.49 143.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 4.09 109.302 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 49.8 m -78.29 84.25 4.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.57 108.316 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.729 ' C ' HG13 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -59.12 117.6 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 6.18 111.024 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.729 HG13 ' C ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 68.62 146.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 3.77 109.336 -179.959 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.21 -177.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 4.84 109.267 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.522 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 17.9 ttmt -138.99 146.5 40.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 3.72 109.289 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.564 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -62.79 143.61 96.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 1.39 108.317 179.981 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.3 Cg_endo -75.0 -45.86 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 0.93 110.989 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER -168.6 139.05 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 4.52 110.282 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.479 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.23 125.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 2.61 109.305 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 113.13 -24.63 12.37 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.48 1.113 . . . . 0.76 110.964 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.564 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -38.36 121.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.735 . . . . 0.69 109.312 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 152.68 25.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 3.33 109.28 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 49' ' ' CYS . 5.5 p -155.55 174.93 14.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 2.32 108.271 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -156.53 132.71 9.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 2.82 110.316 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.651 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 56.3 t80 -100.44 94.81 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.93 111.029 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.915 ' HA ' HG23 ' A' ' 2' ' ' THR . 3.6 m-20 -56.91 116.35 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 2.86 109.279 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.3 p -74.83 -1.32 21.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.53 109.96 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.493 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -79.7 -22.34 43.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 6.1 111.04 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -140.07 -47.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 3.49 109.323 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.563 ' HA2' ' CZ ' ' A' ' 42' ' ' PHE . . . 108.37 50.54 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.113 . . . . 1.23 111.01 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.584 ' CD ' ' CE2' ' A' ' 29' ' ' TYR . 13.7 mmtp -83.52 -105.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 3.44 109.323 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 29' ' ' TYR . 1.8 p 158.15 -25.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 3.77 108.298 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.473 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 64.5 m-85 37.5 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 1.83 110.965 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 2.18 108.313 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.318 -0.623 . . . . 1.08 109.318 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.594 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -85.47 138.37 32.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.95 110.368 -179.933 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 7.7 m-30 -88.28 -176.64 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 2.03 110.996 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -148.49 140.82 24.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 2.24 109.311 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -169.92 -142.21 3.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.13 . . . . 0.42 110.963 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' LYS . 21.1 mttm -135.8 159.27 42.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 1.93 109.343 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.439 ' CB ' ' HG ' ' A' ' 51' ' ' CYS . 2.1 p -132.35 152.05 51.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 1.0 108.333 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 12' ' ' ASN . 18.6 m-30 -115.19 139.09 50.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 1.86 110.991 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -80.21 -47.76 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 2.4 109.289 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.31 -29.05 63.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 4.04 109.32 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.796 ' O ' HG23 ' A' ' 13' ' ' ILE . 5.2 m-20 -107.96 -10.57 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 2.05 109.347 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 8.5 t30 42.36 54.84 4.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 2.42 109.351 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.071 HD13 HG23 ' A' ' 25' ' ' ILE . 2.7 pp -137.21 169.36 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.66 109.345 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 1.8 t -126.19 103.81 7.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.27 108.24 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HD2' ' CZ ' ' A' ' 8' ' ' TYR . 3.0 ptmt -96.06 129.24 43.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 3.26 109.28 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.688 ' CE2' HG21 ' A' ' 23' ' ' THR . 1.1 p90 -154.39 179.54 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.17 111.014 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.18 99.39 8.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 3.04 109.286 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.82 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -48.3 164.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 1.84 109.307 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 2.7 tp-100 -57.16 -32.68 66.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 5.23 110.305 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.89 1.42 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 2.72 109.99 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.01 0.28 64.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 3.01 110.987 179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -40.46 91.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 5.78 109.292 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.82 HG22 ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -79.88 -175.83 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 5.4 110.409 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.701 ' N ' HG23 ' A' ' 23' ' ' THR . . . 163.72 114.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 2.59 109.299 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.071 HG23 HD13 ' A' ' 13' ' ' ILE . 4.4 mt 60.59 136.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 1.71 109.324 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 27' ' ' LYS . 2.0 t -153.34 104.45 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.38 108.319 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.775 ' HA ' HG22 ' A' ' 13' ' ' ILE . 4.6 mtpt -36.63 138.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 5.34 109.276 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -86.87 124.23 32.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 2.16 108.344 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.689 ' CD1' HG23 ' A' ' 30' ' ' VAL . 1.4 p90 -112.67 13.41 19.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 4.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.689 HG23 ' CD1' ' A' ' 29' ' ' TYR . 79.6 t -119.23 -104.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 3.56 109.304 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.641 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -94.06 98.65 11.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 3.44 109.27 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -36.64 149.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 3.65 109.3 179.947 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 2.1 t -60.77 139.54 93.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 1.36 108.324 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.523 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.96 -46.63 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.533 1.807 . . . . 0.72 111.017 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.1 ptt180 -164.31 136.86 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 3.73 110.264 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -36.12 130.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 2.38 109.303 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.25 -26.22 24.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.51 110.989 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.523 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.36 124.47 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 0.43 109.339 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -68.83 150.29 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 2.82 109.235 -179.941 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.431 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -149.77 -177.17 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 2.3 108.273 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 40' ' ' CYS . 1.1 pm0 -153.87 122.59 6.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 2.91 110.313 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.588 ' CE2' ' HA2' ' A' ' 47' ' ' GLY . 1.8 t80 -91.61 118.48 30.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 1.35 111.019 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.602 ' CG ' ' CE1' ' A' ' 50' ' ' TYR . 1.3 m-20 -76.01 125.67 29.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 2.55 109.313 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.78 1.46 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 2.79 109.956 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.66 -40.83 9.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 5.46 110.991 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -117.15 -40.38 3.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 4.28 109.283 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.588 ' HA2' ' CE2' ' A' ' 42' ' ' PHE . . . 83.8 62.78 1.73 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 1.49 111.003 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 29' ' ' TYR . 2.9 mmtt -101.07 -88.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 4.18 109.305 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 1.8 p 157.35 -22.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 3.87 108.332 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.602 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 40.9 m-85 37.66 76.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 1.73 110.99 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.439 ' HG ' ' CB ' ' A' ' 7' ' ' CYS . 76.4 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 2.12 108.334 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.28 -0.637 . . . . 1.04 109.28 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.453 HG22 ' HB3' ' A' ' 41' ' ' GLU . 3.2 m -56.64 130.45 45.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.69 110.439 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -93.31 117.56 30.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 1.63 111.021 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.32 155.18 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 2.5 109.306 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.35 -150.09 10.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.75 110.986 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -142.82 160.91 39.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 2.77 109.336 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.475 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 25.3 t -128.71 156.38 43.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 3.34 108.314 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 8.6 m-30 -116.47 148.59 40.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 2.31 111.001 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 8.5 ptmt -85.31 -50.62 7.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 2.28 109.321 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 4.1 tttt -53.36 -31.98 47.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 3.23 109.276 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.5 ' CB ' HG13 ' A' ' 13' ' ' ILE . 13.7 m-20 -105.87 -16.74 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 2.57 109.333 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.561 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 7.0 t30 45.62 53.96 8.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 2.57 109.309 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.793 HD13 ' CD ' ' A' ' 15' ' ' LYS . 1.2 pp -144.8 145.98 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 1.23 109.3 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -93.86 112.5 24.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 1.6 108.267 -179.977 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.793 ' CD ' HD13 ' A' ' 13' ' ' ILE . 2.7 mptt -97.74 105.68 17.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 5.4 109.298 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 17' ' ' LYS . 11.4 p90 -134.53 -170.46 2.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.99 110.979 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 9.0 mmtt -80.53 154.58 27.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 2.89 109.294 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . . . -111.09 39.45 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 3.77 109.301 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 3.6 tp-100 67.23 -59.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 3.66 110.286 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -48.76 -30.16 5.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 3.24 109.973 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.474 ' O ' ' CE ' ' A' ' 17' ' ' LYS . . . 119.64 -13.74 10.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 3.82 110.946 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -71.02 -111.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 9.01 109.324 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 17.4 m -161.0 149.39 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 6.69 110.404 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 18' ' ' ALA . . . -134.71 138.01 44.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 3.41 109.283 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.52 HG23 ' HD2' ' A' ' 15' ' ' LYS . 4.9 mt -111.95 142.91 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 2.13 109.312 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' LYS . 21.6 p -149.75 106.97 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 2.58 108.276 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HA ' HG22 ' A' ' 13' ' ' ILE . 30.9 mttt -39.5 146.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 3.48 109.298 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.622 ' SG ' HG22 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -78.15 120.0 22.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.76 108.346 179.96 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.437 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 3.5 p90 -99.83 12.04 37.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 6.53 110.971 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.673 HG23 ' N ' ' A' ' 31' ' ' LYS . 12.7 m -98.25 -139.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 5.88 109.303 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.673 ' N ' HG23 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -95.63 47.14 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 8.04 109.288 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HG2' ' N ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER 58.64 144.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 4.78 109.287 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.555 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.3 t -60.38 141.83 91.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 1.4 108.298 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.2 Cg_endo -75.04 -33.54 4.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 0.97 110.943 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.16 151.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 3.77 110.342 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.54 128.32 28.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 2.47 109.31 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.79 -23.24 17.62 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.58 110.947 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.555 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -45.18 114.86 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.49 109.286 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 17.4 tttt -61.91 150.61 37.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 2.84 109.325 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -164.8 160.57 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 2.3 108.288 -179.998 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 2.1 mt-10 -129.78 141.68 50.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 3.64 110.293 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 34.1 t80 -100.17 107.92 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.21 111.01 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.49 ' OD1' ' CE1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -69.23 106.38 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 2.89 109.301 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -76.39 0.42 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.22 109.986 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 1.4 m-85 -76.68 -34.97 58.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 5.8 111.013 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -127.2 -45.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 4.16 109.329 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.95 33.46 3.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 1.22 110.985 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 49' ' ' CYS . 31.7 mmtm -71.24 -117.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 3.75 109.278 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 158.87 85.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 1.9 108.298 -179.977 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.49 ' CE1' ' OD1' ' A' ' 43' ' ' ASP . 4.6 m-85 -67.91 59.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.56 110.972 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 3.6 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 2.54 108.295 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.664 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.297 -0.631 . . . . 0.97 109.297 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.714 HG22 ' HB3' ' A' ' 41' ' ' GLU . 2.9 m -64.09 143.01 58.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.86 110.416 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.475 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 6.2 m-30 -97.75 -163.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 2.28 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 8.1 m-80 -155.59 141.27 17.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 2.56 109.331 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -166.81 -135.09 1.8 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.42 111.003 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 29.0 mttt -146.98 160.01 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 2.54 109.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 p -134.91 153.41 52.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.98 108.334 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.546 ' CD2' HD11 ' A' ' 13' ' ' ILE . 17.3 m-30 -114.8 134.4 55.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 1.87 111.043 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -75.37 -48.35 23.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 2.15 109.327 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 1.7 ttmt -54.76 -47.9 73.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 3.54 109.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.445 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 73.3 m-20 -89.79 -6.14 56.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 2.44 109.332 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.517 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.5 t-20 38.67 61.09 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 2.41 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.834 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.0 pp -142.86 165.3 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.32 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.525 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 2.5 t -123.48 110.81 15.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.27 108.312 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.683 ' CG ' HG23 ' A' ' 25' ' ' ILE . 1.4 mtpm? -104.68 135.47 46.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 2.84 109.292 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.565 ' OH ' ' CD1' ' A' ' 42' ' ' PHE . 2.2 p90 -164.23 157.2 17.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 1.06 111.039 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.96 109.27 18.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 4.53 109.278 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.92 109.306 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.305 -0.628 . . . . 2.32 109.305 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.683 HG23 ' CG ' ' A' ' 15' ' ' LYS . 1.4 mp -43.66 141.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.94 109.272 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' LYS . 42.4 t -146.91 108.98 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 1.39 108.321 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.834 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -34.03 140.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 4.99 109.328 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.432 ' CB ' ' ND2' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -76.55 77.25 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.66 108.24 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.827 ' O ' HG22 ' A' ' 30' ' ' VAL . 6.3 t80 -62.68 114.38 3.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 5.02 110.955 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 74.54 146.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 3.64 109.302 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER 39.38 74.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 3.29 109.269 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 33' ' ' CYS . 3.7 ttmt -40.68 160.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 4.69 109.326 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -56.59 144.34 64.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 1.32 108.298 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.01 -45.03 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.563 1.823 . . . . 0.78 110.972 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -167.49 137.76 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 4.11 110.301 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.493 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.35 132.04 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 2.45 109.352 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.4 -19.9 52.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.5 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -44.41 118.05 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.45 109.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 1.6 tmpt? -62.67 146.98 50.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 3.53 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.502 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -157.46 153.23 26.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 2.21 108.316 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.714 ' HB3' HG22 ' A' ' 2' ' ' THR . 23.1 mt-10 -116.83 150.91 37.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 3.87 110.322 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.565 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 75.8 t80 -106.45 99.38 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.04 110.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.586 ' CG ' ' CE1' ' A' ' 50' ' ' TYR . 1.7 m-20 -62.28 122.29 15.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 2.69 109.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.664 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 13.2 p -90.84 24.73 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.32 109.975 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -111.59 -24.18 10.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 5.61 110.97 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -131.89 -51.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 3.95 109.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.88 25.06 4.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 1.07 111.029 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -148.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 3.15 109.305 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.414 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -159.23 70.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 2.63 108.281 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.586 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 8.6 m-85 -45.89 95.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 1.51 111.038 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 50.7 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 2.42 108.316 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.68 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.308 -0.627 . . . . 0.93 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.719 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.7 OUTLIER -68.93 126.87 31.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.09 110.354 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 3.8 m-30 -85.55 -165.94 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 2.36 110.972 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 4.5 m-80 -154.9 144.57 21.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 2.85 109.241 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -168.38 -132.42 1.42 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.51 111.012 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 11.2 mttp -144.55 166.55 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 2.1 109.264 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' ALA . 5.8 p -142.18 154.1 44.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.97 108.297 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.537 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 17.6 m-30 -114.27 141.0 48.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 1.83 111.01 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -81.43 -47.91 12.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 2.28 109.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -54.34 -38.21 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 4.62 109.318 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.858 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.5 m-20 -102.01 -7.57 22.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 2.43 109.332 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 55.3 t30 38.35 58.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 2.47 109.258 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.984 HD13 HG23 ' A' ' 25' ' ' ILE . 2.8 pp -136.61 162.2 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.74 109.301 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' CYS . 12.6 t -115.82 111.71 20.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 1.25 108.289 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -109.11 131.5 55.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 2.69 109.319 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.59 ' CE2' ' CB ' ' A' ' 42' ' ' PHE . 2.2 p90 -163.76 157.6 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 1.29 111.002 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -85.58 109.67 18.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 3.73 109.309 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 2.0 109.297 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.346 -0.613 . . . . 2.22 109.346 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.984 HG23 HD13 ' A' ' 13' ' ' ILE . 1.5 mt -52.27 133.86 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 2.03 109.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' LYS . 4.9 t -138.38 108.81 6.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.74 108.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.908 ' HA ' HG22 ' A' ' 13' ' ' ILE . 20.7 ttmt -37.84 155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 4.62 109.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -89.8 87.12 6.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 1.28 108.278 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.558 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 9.0 t80 -79.72 6.3 11.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 4.48 110.987 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 31' ' ' LYS . 2.1 t -122.33 -139.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 4.09 109.288 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -63.44 115.81 4.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 4.58 109.329 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 18.9 ttpt -39.84 154.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 2.91 109.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -69.81 147.19 96.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 1.45 108.334 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.05 -46.59 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.453 1.765 . . . . 0.65 111.011 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.9 ptt85 -172.89 143.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 3.6 110.318 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.524 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.1 t0 -37.03 134.33 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 2.21 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.85 -23.49 34.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.44 111.021 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.479 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -41.62 120.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.36 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -65.9 146.88 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 2.43 109.267 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 14.8 t -152.16 162.01 41.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 2.19 108.326 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -125.76 146.75 49.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 2.94 110.318 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 46.9 t80 -108.23 107.58 18.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 1.01 111.027 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.719 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.8 OUTLIER -72.91 124.94 26.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 2.76 109.303 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.68 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 59.7 p -91.5 28.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.28 109.973 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -113.01 -24.85 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 5.57 111.01 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -126.92 -54.38 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 3.26 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.79 26.75 3.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 1.2 111.047 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -94.51 -165.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 5.76 109.276 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.11 96.3 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 2.79 108.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -75.6 78.88 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 1.68 111.017 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 95.3 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 2.11 108.316 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.443 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.281 -0.637 . . . . 0.93 109.281 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.773 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.8 OUTLIER -81.41 138.09 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.79 110.393 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 18' ' ' ALA . 3.5 m-30 -98.01 -166.68 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 2.11 110.984 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 4.0 m-80 -155.01 147.13 23.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 3.07 109.304 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 6' ' ' LYS . . . -168.85 -127.93 0.96 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.64 110.991 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 51.7 mttt -150.26 165.83 31.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 2.01 109.302 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.9 p -141.77 151.22 42.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.99 108.317 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.629 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.2 m-30 -114.5 140.74 48.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 2.14 110.979 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 12' ' ' ASN . 13.5 mttt -58.63 -73.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 4.26 109.305 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.3 tttt -38.74 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 3.59 109.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.713 ' O ' HG23 ' A' ' 13' ' ' ILE . 15.6 m-20 -52.5 -21.47 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 2.24 109.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.629 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 52.5 t30 38.86 56.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 2.49 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.977 HD13 HG23 ' A' ' 25' ' ' ILE . 2.8 pp -130.63 172.77 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.68 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 37.8 t -121.04 102.17 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 1.2 108.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -96.07 129.42 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 3.96 109.315 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.586 ' CE2' ' CB ' ' A' ' 42' ' ' PHE . 2.0 p90 -162.36 163.77 27.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.23 110.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 18' ' ' ALA . 1.2 tmtt? -95.65 100.48 12.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 3.68 109.305 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.585 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 2.02 109.286 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.327 -0.62 . . . . 2.55 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.977 HG23 HD13 ' A' ' 13' ' ' ILE . 2.1 mt 60.64 142.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 1.8 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' LYS . 43.4 t -160.44 108.44 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 1.37 108.302 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.914 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -37.56 139.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 3.73 109.293 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -72.34 75.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 1.36 108.317 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 1.2 t80 -83.99 4.43 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 4.38 110.983 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 48' ' ' LYS . 3.5 t -103.97 -64.54 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 5.25 109.285 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 6.7 mttm -149.67 129.5 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 4.05 109.324 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 29.0 ttmt -39.79 157.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 3.38 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -83.6 143.62 44.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 1.53 108.262 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.477 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 18.1 Cg_endo -75.01 -42.38 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.74 110.992 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -178.29 147.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 3.71 110.282 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.61 133.29 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 2.74 109.293 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.81 -27.94 17.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.502 1.126 . . . . 0.62 110.98 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.477 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -38.96 117.12 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 0.738 . . . . 0.46 109.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.707 ' HZ3' ' C ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -68.35 146.61 53.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 4.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.528 ' HA ' ' HZ1' ' A' ' 39' ' ' LYS . 38.9 t -152.58 161.54 42.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 2.26 108.314 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.63 ' HB2' HG22 ' A' ' 2' ' ' THR . 7.6 pt-20 -125.14 149.65 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 3.88 110.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.586 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 69.2 t80 -107.06 104.91 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.87 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.773 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.9 OUTLIER -67.77 135.53 52.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 2.6 109.307 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.422 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 15.8 p -95.58 -16.96 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.33 109.989 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -68.53 -9.21 47.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 7.15 111.004 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 20.4 mtpt -148.8 -58.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 3.88 109.288 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.2 49.16 0.41 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 1.03 111.035 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -118.62 175.27 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 3.36 109.263 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 14' ' ' CYS . 1.6 p -123.81 96.09 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 2.05 108.271 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.405 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 21.2 m-85 -66.82 67.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 1.62 110.968 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 3.6 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 1.67 108.262 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.572 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.293 -0.632 . . . . 0.85 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.772 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -78.13 142.87 37.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.81 110.43 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 2.8 m-30 -103.3 -169.46 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 1.89 110.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 13.1 m120 -150.92 147.0 26.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.99 109.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -170.63 -135.76 1.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.52 111.014 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 39.7 mttt -147.18 156.73 43.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 0.777 . . . . 1.86 109.291 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -126.21 159.21 33.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 1.0 108.256 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.5 m-30 -114.03 150.8 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 1.81 111.025 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 34' ' ' PRO . 3.7 mttt -81.39 -62.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 4.42 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -46.97 -56.77 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 3.92 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.811 ' O ' HG23 ' A' ' 13' ' ' ILE . 29.5 m-20 -75.51 -13.3 60.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 2.38 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.581 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 47.0 t30 38.51 54.21 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 2.37 109.29 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.912 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.3 pp -133.69 177.7 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.66 109.337 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 26' ' ' CYS . 1.0 OUTLIER -128.53 118.74 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.39 108.275 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.795 ' CG ' HG23 ' A' ' 25' ' ' ILE . 23.7 mtpt -111.64 133.99 53.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 3.26 109.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.601 ' CE2' ' CB ' ' A' ' 42' ' ' PHE . 1.8 p90 -162.67 156.88 21.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 1.15 111.001 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -86.43 107.17 17.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 4.28 109.265 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 1.97 109.32 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.465 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.263 -0.644 . . . . 2.27 109.263 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.795 HG23 ' CG ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -52.85 130.7 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 2.09 109.334 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' CYS . 8.6 t -130.18 100.79 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.38 108.325 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.912 ' HA ' HG22 ' A' ' 13' ' ' ILE . 2.4 ptpt -40.86 149.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 3.85 109.258 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.456 ' HG ' ' CB ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -65.0 -154.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 2.34 108.28 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.764 ' CD1' HG23 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -178.16 98.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 4.76 111.002 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.764 HG23 ' CD1' ' A' ' 29' ' ' TYR . 1.7 t 70.56 -71.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 4.4 109.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.77 72.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 4.18 109.276 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' VAL . 11.0 ttpt -41.73 151.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 3.17 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 8' ' ' TYR . 13.2 m -63.66 147.54 95.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 3.24 108.301 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.501 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.84 111.006 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 173.97 147.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 3.94 110.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 5.2 t70 -40.38 142.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 2.36 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.28 -28.6 7.93 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.72 111.019 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.501 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -40.93 115.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.57 109.261 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -65.64 145.01 56.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 2.33 109.336 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -155.12 160.05 40.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 2.17 108.278 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.521 ' HB2' HG22 ' A' ' 2' ' ' THR . 4.9 pt-20 -126.21 146.27 50.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 3.73 110.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.601 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 70.7 t80 -102.91 110.15 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.02 111.021 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.772 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.7 OUTLIER -74.75 136.09 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 2.87 109.32 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 p -94.09 -18.77 21.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 1.32 110.02 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.624 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -76.1 -8.36 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 6.27 110.992 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 62.8 mttt -152.71 -63.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 2.89 109.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.01 67.79 1.13 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 1.23 111.015 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 13.1 mmtp -117.21 10.94 13.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 3.81 109.298 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 43.06 77.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 2.61 108.292 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -59.12 87.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.38 111.035 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.456 ' CB ' ' HG ' ' A' ' 28' ' ' CYS . 12.2 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.95 108.299 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.423 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.326 -0.62 . . . . 1.14 109.326 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.661 HG23 ' HA ' ' A' ' 43' ' ' ASP . 4.1 m -68.51 138.72 55.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.85 110.375 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 4.8 m-30 -92.29 179.52 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 2.19 110.999 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.402 ' OD1' ' OE2' ' A' ' 41' ' ' GLU . 3.8 m-80 -140.46 137.49 33.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 2.32 109.309 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.01 -139.06 2.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.39 111.015 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 33.9 mttt -147.83 156.78 43.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 2.42 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -127.54 155.79 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 1.1 108.302 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 18.1 m-85 -105.93 169.22 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 2.22 111.018 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -92.57 -69.78 0.73 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 3.55 109.257 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -42.17 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 3.79 109.319 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.855 ' O ' HG23 ' A' ' 13' ' ' ILE . 3.7 m-20 -59.12 -16.53 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 2.63 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.552 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 63.9 t30 37.38 63.47 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 2.82 109.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.988 HD13 HG23 ' A' ' 25' ' ' ILE . 1.7 pp -131.5 168.28 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.78 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' CYS . 1.2 m -114.5 110.12 19.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 2.12 108.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HD2' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -107.76 129.28 55.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 2.82 109.318 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.609 ' OH ' ' CD1' ' A' ' 42' ' ' PHE . 1.8 p90 -161.09 158.31 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 1.14 111.012 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -87.34 105.32 17.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 3.78 109.259 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.97 109.314 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.287 -0.634 . . . . 2.28 109.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.988 HG23 HD13 ' A' ' 13' ' ' ILE . 1.6 mt -49.42 139.63 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 2.09 109.273 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 14' ' ' CYS . 4.0 t -146.16 111.79 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 1.95 108.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.897 ' HA ' HG22 ' A' ' 13' ' ' ILE . 18.0 ttpt -36.66 154.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 4.49 109.294 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.63 85.13 6.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.38 108.292 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.578 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 3.1 t80 -79.09 5.11 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 4.04 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.49 HG12 ' H ' ' A' ' 31' ' ' LYS . 2.0 t -115.28 -139.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 4.42 109.331 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -67.12 118.07 10.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 4.11 109.278 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.53 153.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 3.23 109.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.822 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.9 t -74.27 140.09 76.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 1.48 108.352 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -29.52 8.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 0.89 111.011 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER 172.49 140.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 4.43 110.277 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.56 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -36.07 137.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 2.68 109.315 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.4 -28.25 16.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.66 110.963 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.822 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -40.83 118.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.55 109.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -63.99 150.58 44.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 2.68 109.264 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 1.9 p -153.86 152.97 31.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 2.27 108.248 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' CD ' ' C ' ' A' ' 40' ' ' CYS . 1.3 mm-40 -122.84 129.76 52.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 3.4 110.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.609 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 71.3 t80 -92.76 101.52 13.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.91 111.016 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.661 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.4 OUTLIER -64.47 129.65 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 2.46 109.305 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 p -96.81 21.39 9.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 1.3 110.009 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -104.53 -25.89 12.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 5.63 111.021 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -126.39 -53.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 3.86 109.315 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.82 32.64 1.85 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 1.19 111.007 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.99 170.79 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 4.73 109.277 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.09 96.86 5.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 2.94 108.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -69.77 61.88 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.54 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.7 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.86 108.3 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.559 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.322 -0.621 . . . . 0.92 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.77 HG22 ' HB3' ' A' ' 41' ' ' GLU . 3.8 m -63.0 134.12 55.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.99 110.383 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 6.3 m-30 -89.22 -164.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 2.26 110.95 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 8.7 m-80 -155.77 148.25 23.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 2.73 109.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 6' ' ' LYS . . . -172.05 -132.08 1.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.41 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 26.2 mttt -148.89 160.53 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 1.98 109.322 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.453 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -134.04 158.31 43.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.13 108.303 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 17.6 m-30 -114.15 169.24 9.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.77 111.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.481 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 1.1 ptpt -99.48 -56.64 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 2.47 109.283 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.37 -56.46 8.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 3.53 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.838 ' O ' HG23 ' A' ' 13' ' ' ILE . 10.8 m-20 -81.07 -14.91 57.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 2.37 109.329 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 12.6 t30 40.29 61.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 2.99 109.315 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.925 HD13 HG23 ' A' ' 25' ' ' ILE . 1.7 pp -135.91 179.83 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.63 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.7 OUTLIER -127.88 112.85 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 1.49 108.291 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -108.82 131.9 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 2.74 109.26 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.584 ' CE2' ' HB2' ' A' ' 42' ' ' PHE . 1.9 p90 -161.17 158.44 27.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.02 111.066 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -86.68 106.08 17.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 4.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 2.09 109.265 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.299 -0.63 . . . . 2.29 109.299 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.925 HG23 HD13 ' A' ' 13' ' ' ILE . 1.6 mt -50.02 141.57 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 2.02 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.2 t -148.67 112.6 5.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 2.13 108.273 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.843 ' HA ' HG22 ' A' ' 13' ' ' ILE . 13.7 mttt -35.61 150.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 3.83 109.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.15 -150.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 2.22 108.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.511 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -150.12 -147.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 3.67 111.001 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -41.61 78.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 4.39 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.939 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 7.9 mttt -84.48 71.0 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 4.48 109.286 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 31' ' ' LYS . 12.4 mtmt -43.99 167.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 2.98 109.316 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.849 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 2.0 t -79.53 139.09 54.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.45 108.297 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.507 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.05 -36.15 2.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.85 110.975 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.481 ' HA ' ' CE ' ' A' ' 9' ' ' LYS . 1.1 ptm180 -175.98 141.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 5.21 110.346 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.552 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.79 135.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 2.45 109.283 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 102.58 -28.67 14.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.555 1.159 . . . . 0.55 110.978 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.849 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -38.62 120.14 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.48 109.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -66.42 150.7 48.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 3.23 109.262 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.43 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 5.8 p -156.97 170.43 22.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 2.17 108.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.77 ' HB3' HG22 ' A' ' 2' ' ' THR . 22.0 mt-10 -134.15 156.28 48.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 4.19 110.27 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.584 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 58.6 t80 -111.78 96.43 6.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.17 110.991 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.624 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.2 OUTLIER -58.43 127.31 31.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 2.47 109.298 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.559 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 18.7 p -92.79 6.57 47.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.35 109.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.595 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -86.95 -33.33 19.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 5.26 110.963 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -127.35 -48.06 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 3.37 109.261 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.77 26.47 3.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 1.3 110.976 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.511 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -77.04 -171.2 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 5.27 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -142.32 84.96 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 3.36 108.308 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -51.25 170.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 2.93 111.012 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.939 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 2.76 108.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.506 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.305 -0.628 . . . . 0.97 109.305 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.721 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.2 m -79.06 128.22 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.89 110.361 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 2.8 m-30 -88.73 -172.34 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 2.2 110.988 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 0.8 OUTLIER -145.6 137.02 25.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 2.49 109.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -163.42 -139.82 2.72 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.44 110.972 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 36.7 mttm -144.03 161.13 39.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 2.59 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.3 p -130.93 153.31 49.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 108.283 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 16.8 m-30 -113.46 136.67 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.79 110.995 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -77.52 -47.89 18.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 2.49 109.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -53.62 -43.59 68.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 3.46 109.299 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.977 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -96.01 -7.54 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 2.31 109.319 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.51 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 59.7 t30 38.33 59.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 2.47 109.286 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.05 HD13 HG23 ' A' ' 25' ' ' ILE . 1.7 pp -134.91 177.57 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.88 109.302 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.03 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -127.0 107.51 10.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 2.04 108.288 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -105.43 130.54 53.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 2.87 109.334 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.601 ' CE2' ' CG ' ' A' ' 42' ' ' PHE . 2.2 p90 -162.96 159.65 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.17 111.023 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -86.58 110.14 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 4.19 109.341 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 1.95 109.325 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.314 -0.624 . . . . 2.3 109.314 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.05 HG23 HD13 ' A' ' 13' ' ' ILE . 1.4 mt -48.01 134.57 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 2.23 109.298 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' LYS . 22.9 t -140.26 109.03 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.77 108.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.83 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.4 ptpt -36.55 147.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 3.89 109.314 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.426 ' HG ' ' CB ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -60.53 -155.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 2.24 108.312 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.671 ' CD1' HG23 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -178.16 100.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 4.4 111.015 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.671 HG23 ' CD1' ' A' ' 29' ' ' TYR . 1.3 t 67.37 -71.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 3.85 109.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' TYR . 1.1 tttp -70.85 69.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 3.69 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 19.0 ttpt -40.47 153.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 3.1 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -65.65 144.29 98.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 1.3 108.276 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.49 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -45.16 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.7 111.016 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -176.35 143.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 3.58 110.276 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.3 t70 -39.25 136.69 0.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 2.46 109.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.94 -24.0 30.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.49 111.001 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.49 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -44.63 118.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.41 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.493 ' CE ' ' OE2' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -62.36 147.95 46.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 2.75 109.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.414 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 1.8 p -154.65 146.61 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 2.34 108.356 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.493 ' OE2' ' CE ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -116.5 129.92 56.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 3.43 110.25 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.601 ' CG ' ' CE2' ' A' ' 16' ' ' TYR . 65.0 t80 -89.37 104.31 16.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.9 110.972 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.721 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.7 t0 -70.27 130.07 41.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 2.58 109.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 p -95.53 -3.6 46.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.27 109.957 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.598 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -73.76 -11.41 60.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 7.02 111.039 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 16.1 mttt -143.66 -57.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 3.19 109.355 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.97 36.72 0.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 1.42 110.986 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' CE ' ' HB3' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -111.34 179.91 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 4.93 109.28 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.97 94.4 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 2.67 108.298 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.76 74.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 1.3 111.025 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 1.03 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.88 108.265 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.53 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.276 -0.639 . . . . 1.12 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.535 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.8 m -52.75 141.38 21.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.98 110.364 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.449 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 16.3 m-30 -96.01 -166.36 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 1.91 111.014 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 7.0 m120 -149.67 135.04 18.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 2.13 109.347 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -163.66 -139.71 2.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.39 110.999 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 18.4 mttm -141.09 164.79 29.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 2.63 109.305 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 1.6 p -138.39 156.32 47.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.98 108.253 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.731 ' HD2' HD11 ' A' ' 13' ' ' ILE . 39.2 m-85 -116.09 137.22 52.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.82 111.013 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -77.64 -48.87 15.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 2.33 109.282 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.454 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 15.4 tttt -54.04 -44.46 71.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 3.57 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 13' ' ' ILE . 4.8 m-20 -90.79 -14.21 32.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 2.15 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 2.4 t-20 46.66 53.33 10.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 2.23 109.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.93 HD13 HG23 ' A' ' 25' ' ' ILE . 2.0 pp -136.6 174.66 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.69 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -129.87 122.41 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.35 108.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.472 ' HD3' ' CE2' ' A' ' 8' ' ' TYR . 1.6 pttp -115.47 137.3 52.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 4.48 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.552 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.6 p90 -159.91 160.97 34.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.9 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -89.02 103.3 15.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 4.86 109.331 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 2.03 109.291 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.315 -0.624 . . . . 2.4 109.315 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.93 HG23 HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -50.05 134.92 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 2.36 109.253 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 27' ' ' LYS . 20.9 t -140.95 110.33 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 1.79 108.31 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.841 ' HA ' HG22 ' A' ' 13' ' ' ILE . 15.0 mtpt -33.29 146.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 4.65 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -82.92 -167.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 2.07 108.289 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.33 -149.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 4.62 110.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 t -50.66 -29.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 3.84 109.306 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.559 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 12.4 mmtt -86.48 57.01 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 4.33 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.6 ttmt -39.44 154.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 3.31 109.304 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.421 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 5.4 t -69.89 140.41 88.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 1.21 108.288 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.487 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.789 . . . . 0.73 111.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.5 ptt85 -170.05 139.85 1.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 3.67 110.299 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.474 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -35.75 134.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 2.44 109.322 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.69 -22.26 36.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.45 111.059 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.487 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -43.32 120.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.38 109.32 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -66.36 146.39 54.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 2.72 109.306 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 1.6 p -155.72 158.01 37.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 2.12 108.312 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.465 ' HB3' HG22 ' A' ' 2' ' ' THR . 5.7 mt-10 -119.13 139.61 51.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 3.34 110.304 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.502 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 79.4 t80 -97.74 103.58 15.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.93 111.004 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.571 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 4.0 t70 -64.5 121.62 14.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 2.76 109.329 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.53 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 12.7 p -90.7 19.57 5.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 1.19 109.972 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -111.31 -23.74 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 5.48 111.008 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -132.99 -48.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 3.63 109.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.66 7.84 13.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.147 . . . . 1.48 111.011 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 137.47 37.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 3.28 109.295 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.508 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 77.2 m -90.08 95.27 10.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 2.93 108.275 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -60.45 100.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 1.32 111.012 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 2.35 108.286 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.611 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.303 -0.628 . . . . 0.87 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.81 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -80.76 134.58 35.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.96 110.382 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.554 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 8.7 m-85 -90.85 -174.41 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 1.74 110.993 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -153.4 142.7 21.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 2.91 109.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -170.36 -128.44 1.02 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.552 1.157 . . . . 0.64 110.958 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.841 ' C ' ' HZ1' ' A' ' 15' ' ' LYS . 12.0 mttm -142.03 166.68 24.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 2.05 109.251 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.967 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.7 p -143.34 151.88 40.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.02 108.311 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.55 ' CG ' ' HE2' ' A' ' 15' ' ' LYS . 17.4 m-30 -114.55 136.6 52.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 2.02 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.482 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -76.72 -48.65 18.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 2.4 109.301 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 15.3 tttm -54.25 -45.56 72.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 2.87 109.328 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.438 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 18.9 m-20 -90.38 -10.5 43.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 2.42 109.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 8' ' ' TYR . 2.6 t-20 39.84 63.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 2.25 109.297 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.829 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.2 pp -140.99 176.76 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.95 109.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -129.93 110.52 11.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 1.77 108.329 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.841 ' HZ1' ' C ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -99.02 135.49 40.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 5.52 109.307 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.521 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 2.2 p90 -164.9 157.19 15.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 1.01 110.957 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 101.36 13.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 3.47 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.93 109.303 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.298 -0.63 . . . . 2.86 109.298 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 1.5 mt 60.75 136.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 2.11 109.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' LYS . 52.2 t -157.68 109.51 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.81 108.316 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.829 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -37.42 141.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 5.12 109.334 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.406 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -73.81 -162.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 2.31 108.295 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.545 ' C ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -178.35 122.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 5.63 110.991 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.545 HG23 ' C ' ' A' ' 29' ' ' TYR . 2.1 t 69.19 -70.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 3.22 109.337 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -80.03 58.47 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 3.87 109.321 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LYS . 16.1 ttmt -39.11 156.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 4.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 7' ' ' CYS . 1.8 m -68.16 140.52 93.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 3.35 108.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.497 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -57.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.501 1.79 . . . . 1.11 111.006 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.407 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 3.2 ptt180 -158.05 146.06 18.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 3.42 110.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.537 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.05 135.4 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 2.56 109.289 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 94.49 -27.48 13.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.431 1.082 . . . . 0.54 110.996 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.497 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -39.54 123.95 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.45 109.277 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -73.24 147.2 44.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 2.39 109.331 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 1.31 ' SG ' ' HA ' ' A' ' 51' ' ' CYS . 6.9 t -154.73 170.69 21.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 2.58 108.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.572 ' HB2' HG22 ' A' ' 2' ' ' THR . 11.1 pt-20 -133.87 148.55 51.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 3.65 110.297 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.554 ' CD2' ' CE2' ' A' ' 3' ' ' TYR . 55.6 t80 -106.18 106.92 17.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.88 110.962 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.81 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.9 m-20 -72.89 129.56 38.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 3.05 109.302 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.611 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 91.1 p -92.91 11.9 25.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.32 109.988 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.432 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 3.6 m-85 -90.05 -33.06 16.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 5.32 111.01 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -124.94 -50.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 3.57 109.295 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.42 23.16 4.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.159 . . . . 1.03 110.976 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -97.75 177.19 5.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 5.88 109.282 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.76 97.22 6.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 2.39 108.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.438 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 14.7 m-85 -71.91 56.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.5 111.053 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 1.31 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 2.8 108.274 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.518 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 1.11 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.847 HG23 ' HA ' ' A' ' 43' ' ' ASP . 2.2 m -79.25 143.36 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.97 110.363 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.62 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 2.3 m-30 -100.44 -179.31 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 2.19 111.056 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -147.87 150.05 33.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 2.83 109.307 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 178.82 -148.37 8.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.47 110.98 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 44.3 mttt -134.96 156.47 48.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 1.86 109.262 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -119.4 150.54 40.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 1.01 108.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CD1' ' OD1' ' A' ' 36' ' ' ASP . 16.0 m-30 -113.08 131.79 55.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 1.76 111.007 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.445 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -60.06 -63.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 3.44 109.314 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -72.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 3.63 109.317 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.932 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.7 t0 -62.71 -13.9 37.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 3.3 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.542 ' N ' ' O ' ' A' ' 8' ' ' TYR . 49.3 t30 37.95 60.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 2.35 109.328 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.055 HD13 HG23 ' A' ' 25' ' ' ILE . 2.7 pp -134.92 -175.98 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.03 109.348 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -128.98 105.72 8.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 2.21 108.333 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HZ2' ' HE2' ' A' ' 8' ' ' TYR . 22.3 mttt -88.48 139.34 30.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 3.38 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.758 ' CE2' ' HB3' ' A' ' 24' ' ' ALA . 53.5 p90 -166.29 163.49 17.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 1.23 110.961 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -88.22 130.83 34.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 4.84 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 1.83 109.296 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.758 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.29 -0.633 . . . . 3.0 109.29 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.055 HG23 HD13 ' A' ' 13' ' ' ILE . 11.6 mt -97.71 141.15 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 1.69 109.249 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.2 t -139.3 103.71 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 1.46 108.296 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.825 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -40.77 149.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 1.136 . . . . 6.07 109.336 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.707 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -63.59 -150.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.98 108.287 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.47 ' CE2' ' HD2' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -156.7 -147.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 4.0 111.024 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' ' 30' ' ' VAL . 6.1 t -54.66 -27.48 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 4.63 109.289 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 73.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 4.47 109.307 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 14.7 ttpt -40.8 153.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 2.94 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 1.7 t -53.48 141.31 44.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 1.27 108.332 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.515 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.96 -39.69 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 0.89 111.036 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.5 139.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 3.98 110.276 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.571 ' OD1' ' CD1' ' A' ' 8' ' ' TYR . 14.2 t70 -39.59 137.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 2.4 109.353 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.15 -23.1 34.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 0.6 110.978 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.515 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -49.4 117.44 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.47 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -59.25 148.83 30.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 2.3 109.297 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 p -156.87 162.12 39.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 2.38 108.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 2.1 pm0 -143.0 145.37 32.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 2.85 110.246 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' A' ' 3' ' ' TYR . 62.6 t80 -101.39 106.1 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 1.35 111.053 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.847 ' HA ' HG23 ' A' ' 2' ' ' THR . 2.1 m-20 -78.9 127.99 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 3.23 109.317 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.8 p -86.32 5.84 32.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.67 109.976 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -82.25 -35.99 27.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 5.79 110.974 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -117.0 -48.69 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 4.9 109.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.432 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . . . 116.06 14.26 7.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 1.36 110.98 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -102.09 149.16 24.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 5.27 109.317 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -96.57 85.94 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 4.27 108.277 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -44.61 103.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 1.37 110.979 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.707 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.81 108.304 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.585 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.341 -0.614 . . . . 0.89 109.341 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.802 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.4 m -70.08 143.9 52.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.9 110.369 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 3.7 m-30 -102.43 -166.79 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 1.89 110.992 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 1.9 m120 -139.61 158.34 44.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 2.48 109.259 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 172.57 -158.74 29.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 0.58 111.002 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.423 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -131.31 166.48 21.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 2.61 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.52 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 1.7 p -136.48 171.76 14.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.99 108.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.585 ' CD1' ' HE3' ' A' ' 15' ' ' LYS . 4.4 m-85 -140.11 148.01 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 1.61 111.017 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' ASP . 2.0 ptmt -84.78 -58.94 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 2.31 109.32 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.83 -27.94 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 5.65 109.27 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 13' ' ' ILE . 36.1 t0 -108.28 -24.13 11.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 3.06 109.324 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' TYR . 5.6 t-20 53.11 51.75 15.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 2.33 109.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.907 HD13 HG23 ' A' ' 25' ' ' ILE . 2.3 pp -138.24 176.75 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.63 109.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' CYS . 2.1 t -132.73 124.46 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.37 108.298 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.948 ' HG2' HG23 ' A' ' 25' ' ' ILE . 11.2 mttt -112.18 142.2 44.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 4.03 109.271 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.576 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 2.8 p90 -168.82 154.47 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.93 111.0 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -85.56 110.97 19.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 3.54 109.299 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 2.06 109.259 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.576 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.325 -0.62 . . . . 2.39 109.325 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.948 HG23 ' HG2' ' A' ' 15' ' ' LYS . 1.4 mm -55.75 146.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 2.52 109.288 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' CYS . 8.8 t -149.47 108.65 3.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.68 108.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.798 ' HA ' HG22 ' A' ' 13' ' ' ILE . 21.4 ttmt -37.02 154.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 4.16 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.656 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 10.1 m -99.69 110.72 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 1.37 108.336 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.811 ' O ' HG22 ' A' ' 30' ' ' VAL . 3.6 t80 -94.13 124.38 38.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 5.0 111.007 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.811 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 73.74 146.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 3.34 109.307 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER 39.77 81.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 4.38 109.327 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.99 164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 4.88 109.268 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -57.23 145.31 67.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 1.44 108.264 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.463 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.98 -42.58 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 1.01 110.972 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.8 ptt180 -173.77 139.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 3.75 110.338 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -38.15 133.03 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.41 109.327 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.47 -19.82 50.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.449 1.093 . . . . 0.6 110.987 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.463 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -41.13 120.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.45 109.314 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.8 OUTLIER -65.3 148.87 50.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 2.76 109.251 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.43 ' HG ' ' CB ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -158.44 168.41 27.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 2.22 108.337 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.546 ' HB2' HG22 ' A' ' 2' ' ' THR . 9.3 pt-20 -134.33 148.89 50.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 3.56 110.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 75.7 t80 -102.51 107.64 18.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 1.05 111.002 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.802 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.6 OUTLIER -77.05 128.9 35.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 2.91 109.297 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 p -91.45 28.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 1.34 110.072 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -114.18 -23.6 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 5.49 111.017 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -130.41 -53.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 3.06 109.301 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.13 18.61 6.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 1.24 110.933 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -85.35 -168.13 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 0.752 . . . . 3.41 109.283 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.555 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.8 m -142.18 85.11 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 2.75 108.291 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -53.49 109.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 1.42 110.957 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.656 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.81 108.274 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.699 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.283 -0.636 . . . . 1.33 109.283 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.726 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -57.02 147.47 24.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 1.06 110.425 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 19.6 m-30 -102.9 -174.77 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 2.02 110.993 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 5.9 m120 -145.35 149.28 34.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.89 109.283 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -173.06 -129.68 1.18 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.6 110.974 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 18.1 mttm -149.04 159.92 43.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 2.05 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.407 ' CB ' ' HG ' ' A' ' 40' ' ' CYS . 1.3 p -128.98 155.19 45.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 1.04 108.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.57 ' HD2' HD11 ' A' ' 13' ' ' ILE . 38.8 m-85 -114.23 134.29 55.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 2.14 111.002 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.484 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 8.4 ptmt -75.62 -48.51 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 2.74 109.306 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 14.6 tttt -51.61 -48.84 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 3.66 109.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.898 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -90.92 -8.13 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 2.89 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' TYR . 59.9 t30 39.95 58.87 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 2.55 109.303 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.028 HD13 HG23 ' A' ' 25' ' ' ILE . 2.1 pp -133.1 175.67 10.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.92 109.266 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' HG ' ' CB ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER -127.65 112.37 14.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 2.43 108.31 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -99.3 153.61 18.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 3.1 109.295 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.669 ' CZ ' ' CD1' ' A' ' 42' ' ' PHE . 38.4 p90 -177.88 160.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.08 111.017 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -78.76 122.78 26.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 4.24 109.326 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 1.77 109.298 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.608 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 3.43 109.302 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.028 HG23 HD13 ' A' ' 13' ' ' ILE . 1.2 mt -107.9 144.54 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 1.67 109.357 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.4 t -141.16 102.26 4.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.92 108.32 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.879 ' HA ' HG22 ' A' ' 13' ' ' ILE . 4.2 ptmt -43.26 139.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 5.28 109.303 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -67.7 113.62 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 1.92 108.283 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -110.33 11.29 23.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 4.17 111.006 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.583 HG23 ' SG ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -132.09 -105.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 3.63 109.258 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.84 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -87.14 107.48 18.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 4.65 109.278 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 23.5 ttpt -40.11 154.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 3.32 109.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -71.38 144.71 89.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 1.32 108.305 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.04 -41.86 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.511 1.795 . . . . 0.84 110.979 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.473 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 3.8 ptt180 178.39 149.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 3.38 110.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.3 t0 -44.44 135.93 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 2.8 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' OD1' ' A' ' 36' ' ' ASP . . . 99.26 -30.15 10.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.63 111.003 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.475 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -41.61 117.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.5 109.267 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 1.8 tmtt? -60.63 148.59 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 3.69 109.318 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.44 ' CB ' ' HG ' ' A' ' 14' ' ' CYS . 2.5 p -161.2 154.69 21.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 2.29 108.28 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.51 ' HB2' HG22 ' A' ' 2' ' ' THR . 3.6 pt-20 -117.69 152.68 34.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 4.3 110.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.669 ' CD1' ' CZ ' ' A' ' 16' ' ' TYR . 42.3 t80 -115.66 110.01 18.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.94 111.001 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.726 ' HA ' HG23 ' A' ' 2' ' ' THR . 5.3 t70 -58.81 139.06 56.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 3.18 109.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.699 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 43.2 p -109.59 21.94 16.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.59 109.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.61 ' CD2' ' OD1' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -111.23 -21.04 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 5.38 110.986 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -135.34 -54.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 4.29 109.314 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.48 45.07 0.53 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 1.03 110.965 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -109.46 167.59 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.751 . . . . 5.34 109.283 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' CB ' ' HB2' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -115.08 101.48 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 2.49 108.281 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -80.36 64.99 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.25 111.041 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.84 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 2.93 108.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.742 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.331 -0.618 . . . . 1.08 109.331 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.64 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -59.91 135.99 57.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 1.24 110.347 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.429 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 20.5 m-85 -96.52 -172.13 2.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 2.09 110.992 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 0.6 OUTLIER -145.01 124.48 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 2.13 109.298 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.38 -139.81 3.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.45 111.025 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 18.8 mttt -147.09 158.64 44.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 2.04 109.328 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -134.4 156.93 47.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.26 108.284 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 15.3 m-30 -109.59 171.28 7.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 1.65 111.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -107.68 -47.51 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 2.31 109.257 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 7.6 tttt -53.98 -54.31 40.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 3.08 109.251 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -91.66 -5.75 53.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 3.16 109.324 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 10.2 t30 38.72 65.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 3.04 109.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.588 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.4 pp -132.95 175.06 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.95 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -131.58 106.43 8.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 1.57 108.343 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 9.6 mtpt -97.28 135.07 39.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 3.05 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.622 ' CE2' ' CG ' ' A' ' 42' ' ' PHE . 3.3 p90 -169.44 165.99 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.02 110.99 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -92.75 137.69 32.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 3.93 109.327 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 2.64 109.301 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.268 -0.642 . . . . 2.77 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.438 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 1.6 mt 61.76 136.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.79 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.527 ' O ' ' C ' ' A' ' 27' ' ' LYS . 3.9 t -160.15 113.74 2.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 1.97 108.32 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.588 ' HA ' HG22 ' A' ' 13' ' ' ILE . 7.7 mttt -30.96 143.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 3.85 109.31 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 14.3 m -71.58 62.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.82 108.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.798 ' O ' HG22 ' A' ' 30' ' ' VAL . 7.3 t80 -44.49 117.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 4.87 110.986 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.798 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 73.48 146.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 4.03 109.283 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.6 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 4.02 109.323 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 27.6 ttmt -137.09 147.72 46.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 3.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.854 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -70.12 144.9 93.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 1.64 108.268 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.515 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.4 Cg_endo -74.99 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.98 111.036 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -166.37 143.61 5.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 3.96 110.27 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.57 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.63 133.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 2.41 109.312 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 104.11 -27.16 20.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.53 111.023 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.854 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -37.64 119.82 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.794 . . . . 0.45 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 8.0 tttt -70.52 150.85 45.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 3.81 109.329 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.1 t -154.38 162.71 41.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 2.57 108.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -123.41 121.41 35.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 2.74 110.332 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CG ' ' CE2' ' A' ' 16' ' ' TYR . 53.1 t80 -85.65 110.83 19.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 1.02 111.004 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.64 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.7 OUTLIER -64.15 126.6 28.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 2.39 109.291 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.742 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 24.9 p -88.85 -20.17 24.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 1.57 109.957 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -68.54 -9.73 51.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 7.14 110.955 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 46.6 mttt -151.53 -62.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 3.15 109.28 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.75 45.76 0.33 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.501 1.126 . . . . 1.3 111.024 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 174.83 5.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 0.733 . . . . 4.07 109.275 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.23 112.19 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 2.63 108.325 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.432 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 28.1 m-85 -95.33 63.6 2.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 1.37 110.968 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.65 ' SG ' ' HA ' ' A' ' 33' ' ' CYS . 4.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 3.45 108.336 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.531 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.3 -0.63 . . . . 0.92 109.3 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.822 HG23 ' HA ' ' A' ' 43' ' ' ASP . 2.1 m -71.89 150.45 44.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.83 110.393 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.553 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 4.9 m-30 -108.5 -169.58 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 1.74 110.983 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 9.0 m-80 -154.9 154.05 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 2.79 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.95 -133.65 2.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.51 111.024 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 57.7 mttt -144.9 162.5 36.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 1.95 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -136.58 160.68 38.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.98 108.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.541 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 21.0 m-30 -118.75 164.36 15.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 2.12 110.985 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -79.3 -77.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 3.37 109.288 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' LYS . 6.6 ttmt -40.18 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 3.59 109.271 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.505 ' O ' HG23 ' A' ' 13' ' ' ILE . 8.8 m-20 -53.88 -26.02 22.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 3.09 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.55 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 5.1 t-20 38.74 59.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 2.11 109.268 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.886 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.2 pp -132.17 -179.81 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.74 109.272 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' CYS . 35.1 t -126.47 107.93 10.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.28 108.309 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.639 ' HG3' HD13 ' A' ' 13' ' ' ILE . 5.7 mtpp -95.06 134.01 38.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 3.02 109.286 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 2.3 p90 -163.95 157.08 18.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.11 111.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 18' ' ' ALA . 1.1 tmtt? -92.56 97.36 10.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 3.94 109.283 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.99 109.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.286 -0.635 . . . . 2.88 109.286 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.536 HG23 HD13 ' A' ' 13' ' ' ILE . 1.6 mt 60.73 142.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 2.08 109.322 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 27' ' ' LYS . 24.3 t -160.99 113.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.44 108.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.886 ' HA ' HG22 ' A' ' 13' ' ' ILE . 13.7 mttt -35.13 144.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 3.71 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.428 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 22.9 m -95.65 135.62 37.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.58 108.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.786 ' O ' HG22 ' A' ' 30' ' ' VAL . 16.2 t80 -116.42 128.89 55.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 5.03 110.973 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 72.49 145.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 3.5 109.284 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 30' ' ' VAL . 2.5 tttm 39.2 72.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 4.97 109.29 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 33' ' ' CYS . 12.6 ttpt -42.37 163.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 3.14 109.243 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.745 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 5.0 t -58.16 137.84 84.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 1.3 108.296 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.493 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 -40.82 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.89 110.967 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.6 ptt180 -171.14 140.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 4.24 110.277 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.91 135.52 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 2.64 109.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 100.77 -26.9 22.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.68 111.007 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.745 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -39.61 121.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.56 109.283 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 149.79 49.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 2.37 109.317 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -151.5 -175.1 5.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 2.36 108.235 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -155.57 148.66 24.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 2.91 110.313 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.553 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 35.5 t80 -104.16 108.03 19.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 1.2 111.037 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.822 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.8 OUTLIER -73.01 137.22 45.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 2.38 109.301 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.0 p -101.42 -18.21 16.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.49 110.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.604 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -63.84 -17.25 62.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 7.24 110.996 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 14.0 mttm -146.29 -64.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 3.77 109.291 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.49 44.66 0.76 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 1.33 111.019 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.529 ' HZ3' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -97.73 -11.61 23.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 4.01 109.28 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 55.95 83.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 3.82 108.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -63.96 120.2 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 2.06 110.964 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 3.63 108.335 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.806 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.299 -0.63 . . . . 0.95 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.59 HG22 ' HB3' ' A' ' 41' ' ' GLU . 20.1 m -59.06 145.32 42.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.04 110.358 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.461 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 10.3 m-85 -103.37 -160.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.98 111.033 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 11.4 m-80 -158.3 142.77 16.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 2.51 109.329 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.14 -138.05 2.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.41 110.956 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 20.2 mttm -147.16 147.82 30.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 3.71 109.317 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.489 ' C ' ' HG ' ' A' ' 33' ' ' CYS . 12.9 t -123.56 160.25 27.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 3.26 108.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.551 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.8 m-30 -114.76 151.92 32.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 1.85 111.014 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -89.75 -48.26 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 2.37 109.336 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -58.04 -36.3 72.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 4.8 109.287 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.461 ' CB ' HG13 ' A' ' 13' ' ' ILE . 3.6 m-20 -97.99 -20.46 17.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 3.12 109.256 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.551 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 2.0 t-20 49.51 53.43 12.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 2.22 109.348 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.763 HG22 ' HA ' ' A' ' 27' ' ' LYS . 1.9 pp -143.97 143.82 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 1.41 109.317 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 4.7 t -99.49 123.23 43.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 1.5 108.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.846 ' HG2' HD12 ' A' ' 25' ' ' ILE . 0.7 OUTLIER -114.94 131.11 57.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 4.46 109.343 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.582 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.2 p90 -156.52 163.85 38.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.06 111.033 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.22 99.75 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 4.33 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 2.05 109.347 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.506 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.25 -0.648 . . . . 2.35 109.25 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.846 HD12 ' HG2' ' A' ' 15' ' ' LYS . 1.1 mm -58.8 139.5 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 2.38 109.293 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -144.93 107.03 4.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 1.99 108.255 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.763 ' HA ' HG22 ' A' ' 13' ' ' ILE . 13.5 mttt -35.58 145.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 3.86 109.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.956 ' SG ' ' HB3' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -88.37 90.17 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.69 108.333 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.791 ' O ' HG22 ' A' ' 30' ' ' VAL . 7.4 t80 -67.75 122.12 17.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 5.04 110.983 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 72.94 146.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 3.34 109.301 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER 37.83 84.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 3.29 109.289 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.27 179.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 2.85 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.893 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -75.25 143.12 76.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 1.56 108.298 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -43.26 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.49 1.784 . . . . 0.87 110.991 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -166.34 136.81 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 3.65 110.343 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.49 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -35.99 136.14 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 2.58 109.276 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 99.8 -25.15 29.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.59 111.038 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.893 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -39.25 120.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.51 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 1.2 ttmt -71.45 149.03 46.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 3.59 109.247 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.418 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -153.76 -178.94 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 2.09 108.333 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.59 ' HB3' HG22 ' A' ' 2' ' ' THR . 5.2 mp0 -144.24 144.33 31.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 2.74 110.26 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.447 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 93.3 t80 -102.26 98.89 8.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.89 111.03 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 46' ' ' LYS . 1.1 p-10 -63.88 121.18 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 4.17 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.806 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 13.4 p -88.51 15.82 7.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 1.28 110.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -101.41 -27.96 12.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 5.67 111.033 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' OD2' ' A' ' 43' ' ' ASP . 16.2 mttp -122.59 -51.83 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 4.25 109.284 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.69 26.37 4.21 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.553 1.158 . . . . 1.05 111.025 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -83.7 -156.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 4.51 109.257 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -156.15 69.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 3.27 108.271 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.417 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 19.9 m-85 -36.57 150.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 2.44 110.99 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.956 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 2.78 108.292 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.6 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.314 -0.624 . . . . 1.07 109.314 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -53.73 161.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.18 110.389 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 0.7 OUTLIER -133.41 120.81 21.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 1.92 110.987 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -73.99 159.53 32.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 2.29 109.303 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 172.04 -164.76 37.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.72 110.994 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 23.3 mttp -127.22 166.36 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 2.31 109.317 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -130.83 162.65 29.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.03 108.288 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' A' ' 15' ' ' LYS . 7.2 m-85 -122.65 138.13 54.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.33 110.954 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 7.2 ptmt -83.33 -48.81 10.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 2.49 109.306 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.73 -26.56 61.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 4.14 109.337 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.435 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 5.6 m-20 -108.12 -16.64 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 2.32 109.321 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' TYR . 14.2 t-20 48.49 62.41 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 2.39 109.339 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.779 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.5 pp -147.82 177.8 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.68 109.266 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.67 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 1.1 t -129.06 112.65 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.27 108.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.569 ' HD2' ' CD1' ' A' ' 8' ' ' TYR . 12.7 mttm -102.2 121.54 42.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 3.21 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.575 ' CD2' ' O ' ' A' ' 17' ' ' LYS . 10.4 p90 -143.28 -149.39 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.8 111.038 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.575 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -117.33 130.68 56.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 4.1 109.268 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 1.64 109.3 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.462 ' C ' ' CG1' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.299 -0.63 . . . . 3.76 109.299 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.471 HG23 HD13 ' A' ' 13' ' ' ILE . 1.7 mt -151.86 154.6 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.76 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 14' ' ' CYS . 20.3 t -155.91 100.02 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 1.66 108.308 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.779 ' HA ' HG22 ' A' ' 13' ' ' ILE . 8.5 mttt -37.88 141.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 3.6 109.335 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 56.4 m -100.42 120.0 39.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 1.33 108.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.513 ' CZ ' ' HG2' ' A' ' 48' ' ' LYS . 8.8 p90 -109.51 136.95 48.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 4.58 110.993 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.599 HG12 ' N ' ' A' ' 31' ' ' LYS . 3.3 t 64.0 -78.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 4.04 109.282 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.599 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -69.82 64.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 4.89 109.279 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.7 mtmt -47.11 164.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 4.08 109.293 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 37.4 t -70.95 137.05 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.2 108.304 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -32.2 5.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.77 110.995 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.459 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 172.56 141.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 5.74 110.294 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.561 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.4 m-20 -41.72 133.11 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 4.23 109.309 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.94 -17.4 59.33 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.78 111.017 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.481 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -53.09 119.11 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.42 109.321 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 7.9 tttt -63.8 147.87 50.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 2.47 109.337 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 1.6 t -157.5 160.91 38.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 2.1 108.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 2.2 pm0 -131.58 130.22 41.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 2.92 110.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.677 ' O ' HG22 ' A' ' 2' ' ' THR . 11.9 t80 -87.5 143.08 27.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.31 110.954 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.616 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 8.2 t70 -103.81 131.44 51.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 3.06 109.303 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.424 ' HG ' ' HE1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -102.77 19.22 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.81 109.994 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.645 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -108.76 -11.6 15.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 5.81 110.976 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -141.4 -47.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 3.45 109.311 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.79 12.89 15.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.96 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 5.5 mtpt -82.9 176.05 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 3.76 109.306 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -124.72 98.3 5.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 2.28 108.269 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -72.18 58.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 1.22 111.008 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 32.9 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 1.99 108.317 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.62 . . . . 1.13 109.327 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.666 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -99.21 141.33 32.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.96 110.386 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 5.7 m-85 -113.24 121.94 45.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.52 111.01 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.03 161.04 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 2.11 109.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -177.27 -143.67 5.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.4 111.025 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' LYS . 12.3 mttp -142.94 156.65 44.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 2.4 109.299 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.514 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 1.1 p -130.75 170.17 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.97 108.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.567 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 3.8 m-85 -141.28 150.36 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 1.96 110.959 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' ASN . 36.7 mttt -76.18 -65.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 4.53 109.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -39.55 -52.3 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 4.19 109.268 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.44 ' CB ' HG13 ' A' ' 13' ' ' ILE . 31.4 m-20 -80.74 -25.25 38.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 3.04 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.567 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 2.2 t30 49.18 48.71 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 3.03 109.316 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.854 HD13 HG23 ' A' ' 25' ' ' ILE . 2.6 pp -131.05 -177.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.94 109.367 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 51.5 t -137.25 108.14 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 1.28 108.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.503 ' HD2' ' CE1' ' A' ' 8' ' ' TYR . 13.6 mtpt -96.66 139.25 33.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 3.29 109.318 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.484 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 3.6 p90 -167.32 172.21 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.98 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -99.27 120.8 40.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 3.27 109.263 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.72 109.282 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' C ' HD12 ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.28 -0.637 . . . . 2.81 109.28 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.854 HG23 HD13 ' A' ' 13' ' ' ILE . 0.9 OUTLIER 61.1 134.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 2.13 109.355 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' LYS . 2.9 t -153.61 106.66 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 1.41 108.286 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.854 ' HA ' HG22 ' A' ' 13' ' ' ILE . 2.6 mtpt -35.01 139.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 4.69 109.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' TYR . 4.9 m -86.82 112.22 21.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 1.36 108.326 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.608 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 1.9 p90 -59.29 -148.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 6.34 110.99 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.608 ' N ' ' CG ' ' A' ' 29' ' ' TYR . 27.0 t -36.45 -63.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 4.3 109.259 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -54.34 90.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 3.64 109.265 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.498 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 29.9 ttmt -64.35 155.4 32.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 2.94 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 49.3 t -69.36 136.72 88.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 1.16 108.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.563 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.02 -36.86 2.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 1.07 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.86 160.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 3.55 110.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.482 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -55.43 135.78 50.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 2.93 109.29 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.21 -22.27 27.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.62 111.051 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.563 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -39.77 119.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 0.46 109.274 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -69.14 148.34 50.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 2.35 109.327 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 23.4 t -155.11 162.01 41.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 2.32 108.332 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.1 pm0 -131.86 134.71 46.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 2.91 110.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -96.86 113.29 24.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.95 110.989 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.666 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.8 t0 -83.84 131.53 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 3.03 109.296 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 p -91.2 -13.03 33.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 1.27 110.031 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.599 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -70.54 -8.13 49.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 6.45 110.997 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 28.1 mttt -148.01 -55.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 3.52 109.335 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.03 19.9 5.81 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 1.05 111.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -87.13 173.06 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 0.725 . . . . 4.5 109.277 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -122.92 97.48 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 2.41 108.293 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -71.46 63.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 1.42 111.022 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 1.63 108.316 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.291 -0.633 . . . . 0.95 109.291 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.518 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -67.67 147.02 53.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.94 110.369 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.45 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 56.3 m-85 -117.11 121.49 41.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 1.51 110.981 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.76 160.36 30.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 2.45 109.314 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 169.22 -165.16 38.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.88 110.994 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -123.82 169.69 11.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 3.72 109.331 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -132.68 159.99 38.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.99 108.319 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.577 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 6.8 m-85 -120.34 141.0 50.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.44 110.963 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -85.21 -48.36 9.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 3.24 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -55.07 -25.23 29.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 3.72 109.317 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' ILE . 33.6 t0 -112.53 -16.18 12.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 3.32 109.297 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.491 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 15.4 t-20 48.86 59.04 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 2.18 109.315 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.564 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -140.3 -177.39 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.85 109.25 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.463 ' HG ' ' HG ' ' A' ' 40' ' ' CYS . 2.2 t -136.98 116.93 13.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.16 108.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.937 ' HG2' HD12 ' A' ' 25' ' ' ILE . 26.9 mtpt -105.85 122.41 46.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 2.89 109.29 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.746 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 27.6 p90 -140.98 161.7 37.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 1.38 111.004 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -79.91 134.4 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 3.76 109.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 2.37 109.283 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.809 ' C ' HD13 ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.331 -0.618 . . . . 3.34 109.331 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.937 HD12 ' HG2' ' A' ' 15' ' ' LYS . 2.1 mm -109.15 135.82 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 2.9 109.317 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' LYS . 11.2 t -129.15 100.21 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.84 108.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -38.6 151.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 5.39 109.307 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.406 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 65.8 m -75.17 178.91 5.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 1.58 108.343 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.656 ' CD2' HG23 ' A' ' 30' ' ' VAL . 20.0 t80 -179.51 148.03 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 4.66 110.94 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.656 HG23 ' CD2' ' A' ' 29' ' ' TYR . 2.2 t 66.85 -72.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 3.36 109.338 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' TYR . 7.2 mttt -107.87 80.45 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 4.02 109.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -40.43 160.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 2.64 109.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 42.6 t -58.68 135.99 86.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.22 108.277 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.95 -33.97 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.68 110.995 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER 172.66 140.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 5.08 110.298 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 21.0 m-20 -40.35 131.76 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 4.03 109.282 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.93 -17.47 56.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.57 111.006 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -55.7 120.2 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.43 109.27 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 8.5 tmtm? -66.48 147.92 52.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 4.01 109.311 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 5.2 t -159.32 162.42 35.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 2.25 108.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 2.1 pm0 -130.39 132.82 45.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 2.75 110.31 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.746 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 34.1 t80 -93.02 119.19 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 1.03 111.022 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.518 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.0 OUTLIER -80.47 124.3 28.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 2.6 109.289 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.15 21.27 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.4 109.942 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -104.94 -26.28 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 5.48 111.003 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -126.95 -53.5 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 3.97 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.401 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 114.98 19.46 5.97 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.115 . . . . 1.08 110.956 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -179.5 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 3.54 109.33 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 100.89 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 2.64 108.257 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -76.98 54.61 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.48 111.005 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.0 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.57 108.329 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.277 -0.638 . . . . 1.58 109.277 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.509 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -92.52 148.31 22.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 1.37 110.413 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.519 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 4.0 m-85 -115.31 112.46 22.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 1.9 110.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.697 HD22 ' N ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER -89.68 136.54 32.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 2.28 109.267 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -162.57 -135.47 1.82 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.49 111.018 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 8.5 mttt -139.44 162.14 35.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 1.84 109.336 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -128.87 172.11 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 108.295 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 5.7 m-85 -137.1 139.31 41.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 1.69 111.005 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.8 mttt -60.72 -72.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 2.92 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -39.74 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 3.05 109.35 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -54.44 -23.63 16.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 2.64 109.308 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.525 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 11.8 t-20 41.89 60.06 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 2.26 109.299 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.807 HG22 ' HA ' ' A' ' 27' ' ' LYS . 1.2 pp -142.32 -175.9 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.92 109.279 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.472 ' HG ' ' HG ' ' A' ' 40' ' ' CYS . 12.9 t -132.91 112.21 11.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 1.29 108.315 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.664 ' CG ' HG23 ' A' ' 25' ' ' ILE . 7.8 mttm -106.88 139.54 41.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 4.25 109.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.649 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -140.87 -175.99 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 1.21 111.014 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -92.1 29.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 4.05 109.277 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 2.6 109.355 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.605 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.298 -0.63 . . . . 3.15 109.298 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.664 HG23 ' CG ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -112.96 139.18 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 3.27 109.301 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.1 t -127.22 98.87 5.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 2.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.807 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -39.12 142.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 4.88 109.339 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 76.3 m -91.19 125.36 35.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 1.28 108.289 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.523 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 1.3 p90 -111.92 136.01 51.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 5.26 111.033 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 31' ' ' LYS . 22.2 t 63.76 -79.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 3.99 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.585 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 12.3 tttp -70.06 62.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 3.61 109.294 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -43.37 164.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 2.73 109.285 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 41.1 t -68.34 135.95 91.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 1.27 108.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -33.86 4.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.763 . . . . 0.72 111.014 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 0.0 OUTLIER 174.94 147.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 5.82 110.315 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.83 133.07 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 2.48 109.272 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.51 -29.14 12.05 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.46 1.1 . . . . 0.61 111.035 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -39.66 122.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.5 109.283 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -73.17 149.02 43.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 2.47 109.314 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.472 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 4.7 t -160.57 162.04 32.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 2.4 108.276 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -130.93 133.72 46.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 2.65 110.302 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 2' ' ' THR . 34.1 t80 -99.02 120.37 39.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 1.38 111.005 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HA ' HG23 ' A' ' 2' ' ' THR . 6.9 m-20 -86.19 116.33 24.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 2.98 109.33 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.16 4.2 18.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 3.65 109.991 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.503 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 1.9 m-85 -81.49 -44.29 17.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 5.68 110.972 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -113.48 -48.03 2.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 3.89 109.292 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.94 18.52 6.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 1.56 111.01 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HG2' ' CE2' ' A' ' 29' ' ' TYR . 2.9 mtpt -75.78 -170.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 4.82 109.325 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 2.7 t -143.93 92.55 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 2.34 108.318 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.4 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 6.7 m-30 -70.63 77.86 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 1.49 110.983 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 1.86 108.328 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.495 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.305 -0.628 . . . . 1.3 109.305 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.422 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -64.04 133.53 53.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.85 110.383 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 18' ' ' ALA . 89.3 m-85 -100.7 126.16 47.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 2.27 110.964 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.419 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -94.27 152.22 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.8 109.286 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -168.98 -130.53 1.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.55 110.973 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.409 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 30.9 mttt -143.01 160.49 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 2.22 109.332 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 4.4 p -132.66 166.2 22.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 1.05 108.276 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' ASN . 6.6 m-85 -130.74 135.48 47.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 1.59 110.958 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -80.22 -48.84 12.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 2.56 109.325 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -54.73 -26.23 32.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 3.55 109.305 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.685 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -110.08 -14.16 14.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 2.55 109.294 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 8' ' ' TYR . 17.1 t-20 45.0 58.4 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 2.21 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.902 HD13 ' CG2' ' A' ' 25' ' ' ILE . 2.8 pp -139.87 170.29 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.88 109.315 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.828 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -120.54 122.16 39.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 2.13 108.292 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.611 ' CG ' HG23 ' A' ' 25' ' ' ILE . 2.2 mttt -114.45 147.74 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 3.97 109.27 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.708 ' HE1' ' HB3' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -161.48 -172.95 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 1.8 111.022 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.655 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 6.0 ttpt -73.39 -18.14 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 5.24 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 2.95 109.28 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.708 ' HB3' ' HE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.322 -0.622 . . . . 2.53 109.322 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.902 ' CG2' HD13 ' A' ' 13' ' ' ILE . 2.1 mt -118.48 155.15 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 1.91 109.314 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' LYS . 24.0 p -148.95 100.03 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 2.36 108.311 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.882 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -38.57 143.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 4.05 109.302 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.849 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 34.9 m -93.24 123.51 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.39 108.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.581 ' CE1' ' CG2' ' A' ' 30' ' ' VAL . 7.7 p90 -112.46 5.06 17.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 3.98 111.032 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.581 ' CG2' ' CE1' ' A' ' 29' ' ' TYR . 1.8 t -121.23 -142.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 3.19 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.488 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -49.21 93.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 3.96 109.333 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.26 152.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 4.92 109.302 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 2.0 t -57.96 141.85 80.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 1.35 108.325 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.92 -40.75 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.81 110.987 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -174.41 139.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 4.68 110.312 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.452 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -37.34 132.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 2.26 109.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.5 -22.68 36.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.91 111.013 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.508 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -42.3 122.26 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.72 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -65.05 149.99 48.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 2.45 109.315 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER -155.17 176.57 12.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 2.3 108.32 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -141.74 129.04 21.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 2.94 110.284 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.571 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 36.3 t80 -99.37 135.89 40.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.93 110.995 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.576 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . 76.5 m-20 -80.28 130.65 35.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 2.43 109.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.495 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 21.2 p -89.01 59.2 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.91 109.981 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 43' ' ' ASP . 4.7 p90 169.71 -29.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 4.41 110.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 2.9 mttp -85.02 -34.59 22.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 3.44 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.11 16.76 79.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 1.1 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.509 ' HG2' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -104.53 -175.31 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 3.82 109.319 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.646 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -130.69 95.09 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 2.33 108.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -67.66 63.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.46 111.004 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.849 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.8 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 1.6 108.309 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.316 -0.624 . . . . 1.32 109.316 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.619 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -79.41 138.78 37.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 110.379 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.444 ' CB ' ' CD1' ' A' ' 16' ' ' TYR . 26.9 m-85 -108.22 118.68 37.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 1.71 111.001 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.429 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -78.78 160.48 27.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 2.36 109.298 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 167.82 -154.45 24.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.53 110.991 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -125.35 168.14 13.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 2.32 109.291 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 2.0 p -134.73 168.83 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 1.03 108.281 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 12' ' ' ASN . 8.2 m-85 -131.48 137.33 48.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 1.58 110.948 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' CD ' ' HA ' ' A' ' 35' ' ' ARG . 8.9 ptmt -81.13 -52.37 7.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 2.23 109.314 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -51.31 -31.47 21.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 3.99 109.303 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.434 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 15.4 m-20 -104.07 -18.37 14.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 2.14 109.321 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.529 ' O ' HG23 ' A' ' 13' ' ' ILE . 15.4 t-20 50.2 64.51 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 2.29 109.291 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.724 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -154.11 165.78 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.89 109.319 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.36 128.41 50.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 1.26 108.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -113.62 141.99 46.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 3.19 109.327 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.792 ' CE1' ' HB3' ' A' ' 24' ' ' ALA . 50.2 p90 -156.9 166.01 34.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 1.43 110.98 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -78.52 128.14 33.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 4.38 109.313 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.76 109.344 179.954 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.792 ' HB3' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.315 -0.624 . . . . 3.44 109.315 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.54 140.12 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 2.24 109.33 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.9 t -125.13 99.71 6.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 2.22 108.362 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.724 ' HA ' HG22 ' A' ' 13' ' ' ILE . 21.1 mtpt -39.61 145.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 3.25 109.301 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.434 ' SG ' ' CA ' ' A' ' 13' ' ' ILE . 64.2 m -96.28 75.35 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 1.48 108.281 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.619 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 23.5 p90 -103.23 39.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 4.9 111.019 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.619 HG11 ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -158.23 -76.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 3.88 109.264 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.665 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.8 mmtp -106.33 85.9 2.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 4.79 109.324 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -38.88 156.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 4.22 109.304 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 27.6 t -78.37 138.76 59.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.23 108.263 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -33.84 4.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.66 110.978 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 12.3 ptm180 176.96 149.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 4.94 110.298 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -44.75 131.53 6.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 2.55 109.306 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.7 -27.66 18.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.62 110.987 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.475 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.26 121.52 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.52 109.315 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -69.8 148.37 49.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 3.02 109.275 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 14.3 t -167.04 162.08 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 2.4 108.284 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.572 ' HB2' HG22 ' A' ' 2' ' ' THR . 4.8 pt-20 -125.97 145.69 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 3.55 110.268 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.62 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 22.8 t80 -102.64 110.95 23.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.39 111.012 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.619 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.9 OUTLIER -74.21 124.73 26.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 4.08 109.327 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 p -89.57 14.75 10.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 1.55 110.01 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -94.88 -30.09 14.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 5.39 111.03 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -129.95 -46.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 3.86 109.289 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.463 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 111.07 24.73 5.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 1.55 110.973 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.619 ' HG2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.77 174.86 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 4.28 109.298 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -121.21 91.12 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 2.99 108.323 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -67.21 67.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 1.58 110.981 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.665 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 1.8 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 1.93 108.302 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.488 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.292 -0.632 . . . . 0.86 109.292 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.629 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -75.92 124.86 28.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.0 110.391 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 57.7 m-85 -90.56 125.22 35.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.39 110.98 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.706 HD22 ' N ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -83.99 162.41 20.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 2.27 109.289 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 174.53 -142.76 6.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.5 111.014 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -140.43 169.62 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 3.31 109.282 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.5 p -135.07 154.04 51.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 1.08 108.319 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 32.5 m-85 -114.56 133.59 55.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 1.81 111.014 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 3.2 mttt -59.65 -69.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 3.4 109.294 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -41.45 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 5.19 109.353 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.718 ' O ' HG23 ' A' ' 13' ' ' ILE . 46.2 t0 -53.95 -20.63 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.117 . . . . 3.52 109.335 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.674 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 1.6 t-20 41.18 64.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 2.19 109.318 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.001 HD13 HG23 ' A' ' 25' ' ' ILE . 1.9 pp -140.93 -174.6 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.95 109.311 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -123.92 102.93 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 1.39 108.329 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -93.0 128.0 38.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 4.73 109.257 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.504 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 3.6 p90 -158.27 175.66 13.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.97 111.018 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -95.75 141.85 28.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 4.39 109.295 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.79 109.319 179.982 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 2.76 109.308 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.001 HG23 HD13 ' A' ' 13' ' ' ILE . 7.0 mt 62.07 135.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 1.64 109.339 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -142.54 110.05 5.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 1.37 108.322 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.943 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -35.57 132.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 4.79 109.257 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 21.5 m -95.21 121.16 36.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 1.43 108.275 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.676 ' CE1' ' CG1' ' A' ' 30' ' ' VAL . 27.5 p90 -116.27 3.56 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 4.3 111.012 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.676 ' CG1' ' CE1' ' A' ' 29' ' ' TYR . 18.9 m -117.01 -137.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 4.1 109.323 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.64 ' N ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -51.74 90.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 3.78 109.33 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -37.84 154.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 4.87 109.307 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 17.0 t -63.87 135.46 96.31 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 1.34 108.269 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -74.98 -31.72 6.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.61 111.007 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 171.84 140.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 5.26 110.242 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.546 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 23.6 m-20 -38.75 130.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 3.78 109.314 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.48 -19.9 48.83 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.65 110.971 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -53.1 120.64 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.42 109.278 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.655 ' HZ3' ' C ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -61.7 149.18 40.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 3.84 109.27 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 4.6 t -158.9 161.74 36.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 2.07 108.317 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.522 ' HB2' HG22 ' A' ' 2' ' ' THR . 6.0 pt-20 -130.02 145.2 51.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 3.6 110.319 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.504 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 44.8 t80 -109.03 112.12 24.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.83 111.035 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.629 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.6 OUTLIER -69.36 130.45 42.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 2.41 109.263 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.488 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 14.6 p -94.34 -21.85 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.18 109.975 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.599 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -64.88 -10.91 32.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 6.84 110.991 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.512 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 24.3 mttm -143.54 -54.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 3.6 109.309 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.47 1.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 1.21 111.017 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -113.14 -178.61 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 3.48 109.294 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.586 ' SG ' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -108.68 131.86 54.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 2.85 108.294 -179.967 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -122.27 50.93 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 1.48 110.983 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 97.6 m . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 2.08 108.33 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.43 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 0.82 109.309 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.584 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -69.81 141.11 53.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.81 110.387 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 22.3 m-85 -108.13 116.16 31.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 1.6 111.004 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.95 146.43 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 1.98 109.317 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -169.72 -133.88 1.66 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.47 111.021 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' LYS . 34.9 mttp -145.39 156.45 43.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 2.06 109.3 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.657 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.7 p -119.9 167.88 11.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 1.15 108.318 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.648 ' HD2' HD11 ' A' ' 13' ' ' ILE . 52.8 m-85 -133.94 130.21 37.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.7 110.984 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.2 mttt -56.97 -70.4 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 3.14 109.3 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' LYS . 12.8 ttpt -39.64 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 4.45 109.293 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.741 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.3 m-20 -52.62 -21.02 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 2.53 109.278 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.541 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 8.6 t-20 40.29 63.28 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 2.24 109.283 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.036 HD13 HG23 ' A' ' 25' ' ' ILE . 2.3 pp -140.69 -176.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.91 109.285 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -121.0 105.76 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.77 108.333 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' CG ' HG12 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -94.35 132.42 38.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 5.1 109.34 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.8 p90 -160.71 165.59 30.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.04 110.979 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.59 100.93 12.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 3.05 109.289 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 2.12 109.262 179.978 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.269 -0.641 . . . . 3.0 109.269 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.036 HG23 HD13 ' A' ' 13' ' ' ILE . 52.4 mt 61.6 141.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 2.12 109.284 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.54 ' O ' ' C ' ' A' ' 27' ' ' LYS . 7.1 t -158.06 120.96 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 1.6 108.264 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.973 ' HA ' HG22 ' A' ' 13' ' ' ILE . 12.4 mmtt -29.8 141.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 5.13 109.266 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.1 m -86.51 -179.02 6.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.83 108.35 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.706 ' CD2' HG23 ' A' ' 30' ' ' VAL . 29.8 t80 179.64 162.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 4.4 110.986 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.706 HG23 ' CD2' ' A' ' 29' ' ' TYR . 3.9 t 72.65 -73.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 3.36 109.311 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.31 97.78 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 3.59 109.326 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -41.16 161.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 4.21 109.333 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 23.1 t -62.35 136.29 95.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.24 108.313 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.535 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -74.99 -33.14 4.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.68 111.026 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 172.68 143.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 5.73 110.313 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.47 138.25 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 2.59 109.281 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.97 -24.11 20.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.11 . . . . 0.54 111.016 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.657 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -45.89 117.89 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.45 109.29 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -61.11 148.35 40.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 3.17 109.289 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.499 ' HG ' ' CB ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -156.04 169.42 24.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 2.5 108.281 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -140.91 127.12 19.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 2.95 110.33 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.414 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 19.9 t80 -94.56 115.92 28.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.22 111.029 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.61 ' OD2' ' CD2' ' A' ' 45' ' ' TYR . 7.1 t70 -75.71 133.02 40.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 3.07 109.307 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.43 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 1.4 p -102.32 17.8 22.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 1.21 110.029 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.646 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -109.64 -15.34 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 5.87 110.99 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -127.93 -51.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 4.23 109.281 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.14 25.66 6.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 1.28 110.966 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.81 174.4 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 3.32 109.281 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.49 101.69 10.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.51 108.314 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -77.71 55.6 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 1.49 110.976 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.0 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 1.63 108.283 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.258 -0.645 . . . . 0.85 109.258 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -59.44 147.01 38.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.76 110.408 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.406 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 92.6 m-85 -116.81 117.95 31.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.59 110.998 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.482 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -87.19 152.22 22.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 1.78 109.303 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -171.42 -129.47 1.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.53 111.01 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 32.7 mttm -145.9 160.94 41.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 1.95 109.255 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 4.3 p -135.92 161.85 34.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.03 108.244 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.636 ' O ' ' N ' ' A' ' 12' ' ' ASN . 4.1 m-85 -129.98 126.73 38.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 1.58 110.973 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.516 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -55.01 -58.06 9.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 2.5 109.279 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 1.3 tptp -43.31 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 4.57 109.28 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.605 ' O ' HG23 ' A' ' 13' ' ' ILE . 2.4 m-20 -62.59 -12.66 24.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 2.38 109.31 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.636 ' N ' ' O ' ' A' ' 8' ' ' TYR . 56.4 t30 37.6 68.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 2.44 109.303 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.766 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.7 pp -145.03 167.03 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.76 109.325 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -117.81 115.58 25.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 1.46 108.304 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HG3' ' CD1' ' A' ' 13' ' ' ILE . 24.0 mttt -99.38 137.41 37.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 3.58 109.292 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.793 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 21.6 p90 -159.13 162.93 36.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.34 110.993 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -66.47 161.31 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 3.45 109.33 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 3.19 109.325 179.964 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.263 -0.643 . . . . 2.9 109.263 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.583 ' CG2' HD13 ' A' ' 13' ' ' ILE . 6.4 mt -113.39 156.48 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.89 109.256 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' CYS . 32.6 t -139.37 103.41 4.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 1.93 108.323 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.766 ' HA ' HG22 ' A' ' 13' ' ' ILE . 6.3 mttt -40.6 148.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 3.41 109.305 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.239 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -84.34 128.24 34.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 1.2 108.289 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.607 ' C ' HG23 ' A' ' 30' ' ' VAL . 9.7 t80 -127.33 150.54 49.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 4.96 111.027 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.607 HG23 ' C ' ' A' ' 29' ' ' TYR . 2.3 t 74.87 -69.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 3.18 109.321 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -123.79 121.2 34.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 4.06 109.319 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -61.02 -177.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 6.05 109.311 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -82.72 145.77 51.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 1.34 108.327 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.516 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.01 -43.48 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.74 111.021 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -172.43 148.74 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 4.85 110.293 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -44.19 135.59 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 2.65 109.318 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.76 -23.74 21.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.147 . . . . 0.76 111.047 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.516 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -40.02 119.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.61 109.265 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 1.4 ttpm? -65.31 146.69 54.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 2.95 109.271 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -158.35 160.49 36.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 2.14 108.273 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -124.08 131.63 53.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 2.79 110.351 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.793 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 38.4 t80 -98.28 113.66 25.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.89 111.033 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.608 ' OD2' ' CD2' ' A' ' 45' ' ' TYR . 9.4 t70 -66.58 130.55 43.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 3.32 109.301 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.1 13.48 29.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.19 110.02 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.634 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -109.17 -24.79 10.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 5.46 111.029 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -120.98 -59.63 1.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 3.63 109.297 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.57 14.07 7.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 1.19 111.039 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -79.12 -168.98 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 3.66 109.288 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.06 98.06 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 2.68 108.244 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -77.26 53.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.67 110.998 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 1.239 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.5 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 1.67 108.324 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.317 -0.623 . . . . 1.71 109.317 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.619 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -67.18 136.95 55.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.01 110.41 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 30.1 m-85 -107.86 114.9 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.85 110.986 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -72.38 162.63 29.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 2.35 109.298 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 167.6 -145.31 9.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.097 . . . . 0.41 111.024 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 72.3 mttt -133.86 160.8 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.76 . . . . 1.94 109.319 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.2 p -121.7 161.84 21.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.07 108.3 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 12.0 m-85 -121.41 137.08 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 1.72 111.044 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 7.2 ptmt -83.69 -48.5 10.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 2.82 109.309 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -58.45 -24.83 61.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 3.37 109.313 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.407 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 7.6 m-20 -110.39 -13.9 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 2.19 109.266 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.523 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 11.3 t-20 46.5 59.08 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 2.27 109.286 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.908 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -141.55 178.26 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.94 109.277 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' CB ' ' SG ' ' A' ' 49' ' ' CYS . 2.5 t -132.52 112.67 12.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 1.19 108.298 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -94.01 162.78 13.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 3.49 109.327 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.81 ' CZ ' ' HB3' ' A' ' 24' ' ' ALA . 54.1 p90 -178.31 165.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.4 111.008 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -76.16 126.82 31.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 3.33 109.347 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.71 109.303 -179.97 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.81 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.273 -0.64 . . . . 3.18 109.273 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.445 ' CG2' HD13 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -98.14 147.61 6.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 2.95 109.292 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.462 ' HG ' ' HD1' ' A' ' 42' ' ' PHE . 37.1 t -139.07 101.3 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 1.85 108.283 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.908 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -39.62 145.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 4.96 109.304 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.101 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 61.6 m -92.14 129.01 38.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 1.28 108.317 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CZ ' ' HE2' ' A' ' 48' ' ' LYS . 2.3 p90 -112.43 132.16 55.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 5.73 111.018 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 32' ' ' LYS . 78.9 t 63.92 -78.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 3.88 109.307 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' TYR . 4.3 mtmt -69.22 63.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 4.76 109.31 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.2 ttpt -44.46 161.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 2.63 109.267 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 36.1 t -68.51 136.89 90.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.23 108.282 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -32.72 5.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.75 111.044 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.469 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 1.6 ptp180 171.77 138.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 4.39 110.284 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.6 m-20 -39.5 133.51 1.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 4.05 109.341 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.42 -16.66 59.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.68 110.951 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.519 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -57.05 121.48 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.55 109.33 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 8.7 tttt -61.59 149.85 37.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 3.48 109.304 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.429 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 1.7 p -167.35 -179.46 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 2.28 108.271 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.582 ' HB2' HG22 ' A' ' 2' ' ' THR . 1.7 pt-20 -146.97 140.45 25.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 3.62 110.275 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.757 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 19.2 t80 -96.77 111.74 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.43 110.985 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.619 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.3 OUTLIER -68.8 137.81 54.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 2.33 109.288 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 p -105.15 -25.19 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 1.59 109.979 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.596 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 2.6 p90 -54.13 -22.26 10.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 7.37 111.012 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 2.6 ptmm? -143.87 -45.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 6.13 109.271 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.86 17.05 5.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 1.02 110.993 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HE2' ' CZ ' ' A' ' 29' ' ' TYR . 0.5 OUTLIER -67.01 -165.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.757 . . . . 3.98 109.31 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -147.75 87.79 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 2.34 108.277 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.529 ' CE1' ' OD2' ' A' ' 43' ' ' ASP . 4.4 m-30 -67.09 68.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 1.52 110.982 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 1.101 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.6 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 1.88 108.281 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.503 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 1.22 109.288 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.577 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -92.23 143.85 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.99 110.413 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.503 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 5.1 m-85 -118.66 124.53 47.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 1.58 111.001 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.431 HD22 ' N ' ' A' ' 4' ' ' ASN . 2.2 m-80 -89.93 161.94 15.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 2.48 109.311 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 175.14 -135.62 3.13 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.47 110.998 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 61.0 mttt -139.64 165.97 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 2.33 109.348 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 2.0 p -136.81 172.04 13.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 1.0 108.326 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.4 m-85 -135.94 133.08 37.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 1.48 111.019 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.47 -48.82 46.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 2.71 109.33 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -53.34 -54.44 36.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 5.19 109.314 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 13' ' ' ILE . 59.9 m-20 -82.46 -8.41 59.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 2.13 109.298 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.532 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 15.9 t-20 39.6 56.31 2.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 2.39 109.33 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.806 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.7 pp -141.04 171.32 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.72 109.295 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.93 123.64 35.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 1.31 108.335 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -104.63 131.98 51.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 4.03 109.289 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.631 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 40.0 p90 -156.43 166.07 34.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.17 111.001 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -76.41 135.62 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 4.19 109.332 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.77 109.29 -179.992 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.284 -0.635 . . . . 3.0 109.284 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 mt -93.87 134.03 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.94 109.311 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -131.0 97.85 4.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.98 108.28 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.806 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -38.59 144.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 4.69 109.31 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 61.8 m -86.9 115.49 24.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.34 108.274 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.505 ' CD2' HG23 ' A' ' 30' ' ' VAL . 13.9 t80 -102.33 127.86 49.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 5.62 111.013 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.505 HG23 ' CD2' ' A' ' 29' ' ' TYR . 2.2 t 66.26 -73.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 3.24 109.303 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -73.58 61.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 5.41 109.313 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 1.4 ttpt -44.54 159.34 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 2.59 109.332 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.465 ' SG ' ' CA ' ' A' ' 8' ' ' TYR . 27.3 t -67.23 138.94 94.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 1.19 108.271 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -43.38 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.79 110.997 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.3 ptm180 -171.65 144.46 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 5.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -39.47 134.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 2.23 109.308 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 92.8 -24.96 21.58 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.49 1.119 . . . . 0.72 111.033 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.481 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.22 123.58 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 0.745 . . . . 0.58 109.285 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 1.4 tmmt? -71.37 147.67 47.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 2.26 109.285 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 10.8 t -161.42 162.21 30.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 2.31 108.306 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.426 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 1.4 pm0 -126.15 134.17 51.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 2.78 110.337 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.631 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 63.7 t80 -92.71 119.4 32.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.16 110.964 -179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.577 ' HA ' HG23 ' A' ' 2' ' ' THR . 3.0 m-20 -91.47 123.14 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 3.52 109.299 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.3 p -74.3 -16.29 60.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 2.03 110.011 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -54.5 -23.69 17.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 8.01 110.969 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -156.25 -46.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 6.57 109.316 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.544 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 116.39 11.6 9.54 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 2.01 110.994 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 121.31 18.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 6.71 109.312 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -69.06 94.66 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 2.98 108.314 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -71.45 59.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 1.32 110.963 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.3 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 1.62 108.296 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.575 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -71.04 141.38 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.67 110.418 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.575 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 6.5 m-85 -107.65 123.93 49.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.6 110.976 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.699 HD22 ' N ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER -91.53 154.12 19.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 2.47 109.321 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -176.43 -140.42 3.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.453 1.095 . . . . 0.48 111.003 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 21.0 mttt -139.51 157.45 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 1.77 109.309 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -125.5 160.57 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.08 108.322 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 6.9 m-85 -115.72 147.0 41.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.4 110.997 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 2.2 ptmt -88.53 -51.49 5.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 2.29 109.277 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -58.21 -21.51 48.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 3.09 109.304 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.433 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -109.99 -24.42 10.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 2.12 109.283 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.587 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.5 t-20 54.09 53.44 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 2.23 109.324 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.839 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.8 pp -138.17 -179.57 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.81 109.322 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HG ' ' HG ' ' A' ' 40' ' ' CYS . 2.5 t -131.54 125.1 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 1.26 108.316 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HD2' ' CE1' ' A' ' 8' ' ' TYR . 25.9 mttt -108.86 120.93 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 3.59 109.281 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.65 ' CZ ' ' HB3' ' A' ' 24' ' ' ALA . 13.0 p90 -144.77 171.75 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 1.16 110.98 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -77.53 156.3 31.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 3.38 109.279 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.8 109.274 -179.996 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.65 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.277 -0.638 . . . . 3.56 109.277 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.471 HG23 HD13 ' A' ' 13' ' ' ILE . 2.2 mt -103.26 137.52 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 2.3 109.316 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.8 t -137.71 100.13 4.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 1.77 108.333 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.839 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -42.73 143.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 4.32 109.274 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.418 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 1.1 m -79.78 102.17 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.55 108.26 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CE1' ' CG2' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -89.52 20.86 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 4.76 110.991 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.589 ' CG2' ' CE1' ' A' ' 29' ' ' TYR . 1.7 t -131.45 -145.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 3.67 109.302 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -61.07 108.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 4.94 109.324 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 31' ' ' LYS . 15.0 ttpt -35.88 150.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 3.67 109.334 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.832 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -58.63 140.65 85.07 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.35 108.3 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.97 -19.81 17.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 1.18 111.01 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER 166.0 134.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 5.44 110.306 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.571 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -37.24 131.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 4.36 109.328 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.14 -23.78 24.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.54 110.955 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.832 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -45.62 122.97 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.46 109.307 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 2.8 tmmm? -67.18 148.75 51.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 2.25 109.309 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.47 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 1.3 t -159.48 161.49 35.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 2.19 108.332 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -127.35 134.58 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 3.05 110.311 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 1.2 t80 -100.43 127.55 46.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 1.12 111.015 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.61 ' OD1' ' CE2' ' A' ' 50' ' ' TYR . 8.5 m-20 -82.95 136.57 34.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 3.23 109.306 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.05 -15.21 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.66 110.008 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -60.68 -22.67 64.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 7.72 110.992 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.776 ' HD2' ' HZ1' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -151.2 -46.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 4.69 109.262 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.565 ' HA2' ' CZ ' ' A' ' 42' ' ' PHE . . . 126.94 0.53 7.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.47 1.107 . . . . 1.9 111.016 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.776 ' HZ1' ' HD2' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -42.5 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 3.7 109.266 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -125.01 85.48 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 2.14 108.347 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.61 ' CE2' ' OD1' ' A' ' 43' ' ' ASP . 3.6 m-85 -67.73 64.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 1.87 111.007 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 2.25 108.243 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.276 -0.639 . . . . 1.09 109.276 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.512 HG22 ' HB3' ' A' ' 41' ' ' GLU . 1.6 m -51.56 142.4 14.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.07 110.405 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CB ' ' CD1' ' A' ' 16' ' ' TYR . 30.3 m-85 -111.93 114.54 27.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 1.85 110.979 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.739 HD22 ' N ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -89.54 146.32 24.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 2.44 109.313 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -168.97 -116.64 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.73 110.971 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -148.93 163.82 36.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 1.99 109.316 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.624 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 12.2 p -134.25 158.59 43.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 1.09 108.279 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.511 ' O ' ' N ' ' A' ' 12' ' ' ASN . 8.3 m-85 -124.99 131.21 53.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 1.68 110.991 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -71.0 -51.28 26.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 2.55 109.297 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 9.7 ttpt -51.3 -54.18 28.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 3.38 109.365 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.433 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 4.1 m-20 -81.01 -11.53 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 2.06 109.317 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.521 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.7 t-20 40.85 68.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 2.4 109.261 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.871 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.4 pp -152.02 170.87 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.05 109.3 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -122.3 116.37 23.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 1.35 108.3 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -100.95 155.54 17.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 3.01 109.344 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.757 ' CZ ' ' HB3' ' A' ' 24' ' ' ALA . 47.8 p90 -172.13 166.09 6.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 1.59 111.06 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -76.3 124.04 26.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 3.04 109.321 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 1.73 109.278 -179.974 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.757 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.316 -0.624 . . . . 3.22 109.316 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.64 146.97 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 1.84 109.267 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' CD1' ' A' ' 42' ' ' PHE . 49.6 t -128.32 102.04 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.96 108.275 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.871 ' HA ' HG22 ' A' ' 13' ' ' ILE . 21.4 mmmt -39.9 142.85 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 4.81 109.251 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 13' ' ' ILE . 36.8 m -96.03 104.19 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.39 108.322 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.851 ' O ' HG13 ' A' ' 30' ' ' VAL . 2.8 p90 -107.6 35.62 3.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 3.96 110.982 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.851 HG13 ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER 175.28 146.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 2.93 109.348 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' VAL . 2.0 tmtt? 36.5 72.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 6.02 109.27 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -37.53 148.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 2.93 109.314 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -47.48 143.98 5.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 1.27 108.308 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.0 Cg_endo -75.02 -41.49 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.73 110.937 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -174.46 139.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 5.16 110.311 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.64 133.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 2.67 109.286 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.34 -23.95 31.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.76 110.961 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.624 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -45.68 119.62 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.6 109.318 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -61.61 148.93 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 2.31 109.297 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 6.2 t -163.31 162.27 25.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 2.22 108.276 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HB3' HG22 ' A' ' 2' ' ' THR . 3.8 mp0 -124.98 143.7 50.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 2.73 110.29 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.63 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 17.3 t80 -107.22 100.4 9.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.55 110.981 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.602 ' OD2' ' CE2' ' A' ' 45' ' ' TYR . 5.1 t70 -62.63 121.19 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 2.88 109.296 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 p -88.08 8.06 28.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 1.41 109.988 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.641 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -98.42 -16.74 19.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 5.74 111.034 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.15 -47.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 4.23 109.267 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.485 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 98.94 21.73 15.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 1.61 110.992 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' CD ' ' OH ' ' A' ' 29' ' ' TYR . 9.7 mtmt -62.69 -110.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 5.78 109.267 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER 163.78 80.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 2.65 108.267 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -65.33 70.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.97 111.008 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' CYS . 3.1 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 3.38 108.299 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.429 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.28 -0.637 . . . . 0.87 109.28 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.698 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -89.77 126.87 35.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.9 110.418 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 2.0 m-30 -96.37 116.2 28.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.8 110.991 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.63 162.01 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 2.08 109.298 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 177.2 -139.28 4.3 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.43 111.033 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' LYS . 48.1 mttm -136.72 155.11 50.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 2.9 109.33 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 40' ' ' CYS . 1.3 p -127.2 159.21 35.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.05 108.292 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.59 ' CD1' HD11 ' A' ' 13' ' ' ILE . 7.0 m-85 -122.51 138.37 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.53 110.977 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.1 ptmt -82.27 -46.03 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 2.17 109.292 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -59.7 -22.3 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 3.06 109.268 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.548 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.9 m-20 -115.97 -8.8 11.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 2.53 109.31 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 8' ' ' TYR . 9.6 t-20 38.26 64.76 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 2.26 109.362 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.867 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -139.21 -178.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 1.01 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -133.65 103.51 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 1.86 108.296 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -94.79 140.39 29.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 3.08 109.334 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.553 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -164.12 -169.34 1.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 2.79 110.993 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.9 mttt -122.13 94.01 4.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 3.25 109.337 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 1.79 109.279 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.273 -0.64 . . . . 2.91 109.273 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.561 HG23 ' HG3' ' A' ' 15' ' ' LYS . 0.8 OUTLIER 61.8 129.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.97 109.304 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 t -147.14 105.21 3.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 1.37 108.323 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.867 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -36.06 139.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 5.32 109.337 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 m -90.6 117.33 29.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.36 108.28 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.542 ' CD1' HG13 ' A' ' 30' ' ' VAL . 8.4 p90 -103.66 9.27 37.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 4.28 111.0 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.651 HG23 ' N ' ' A' ' 31' ' ' LYS . 8.1 m -125.79 -143.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 4.2 109.272 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.651 ' N ' HG23 ' A' ' 30' ' ' VAL . 2.4 mtpt -48.39 96.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 3.69 109.318 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.2 ttpt -37.41 153.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 2.9 109.293 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 8.5 t -64.94 140.5 98.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 1.35 108.269 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.05 -36.37 2.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.63 110.948 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 2.6 ptp180 -178.18 152.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 5.61 110.263 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.427 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -48.87 129.0 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 2.34 109.294 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.52 -26.61 23.55 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.528 1.143 . . . . 0.46 110.957 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.484 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.31 122.01 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.42 109.287 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 4.2 tmtt? -63.94 150.15 45.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 2.46 109.288 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.427 ' HG ' ' N ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -156.18 177.84 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 2.43 108.304 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.2 pm0 -153.43 146.89 24.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 3.11 110.283 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -113.58 110.63 20.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.38 110.984 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.698 ' HA ' HG23 ' A' ' 2' ' ' THR . 12.0 t0 -77.12 128.76 35.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 2.86 109.269 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 p -92.3 -8.16 45.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.22 110.037 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.561 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -58.52 -17.55 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 7.04 111.005 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.497 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 17.9 mtpt -142.21 -61.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 3.7 109.331 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.79 42.93 0.25 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.519 1.137 . . . . 1.86 110.963 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -121.67 148.34 44.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 6.31 109.296 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -86.23 105.32 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 1.94 108.268 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -81.1 67.49 7.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.5 111.061 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 2.12 108.282 -179.934 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.596 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 1.18 109.328 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.459 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -63.61 150.5 43.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.78 110.408 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 56.0 m-85 -120.21 123.71 43.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 1.63 110.996 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.616 HD22 ' N ' ' A' ' 4' ' ' ASN . 1.1 m-80 -84.66 144.98 28.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 2.25 109.292 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -168.37 -137.98 2.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.47 111.023 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 29.3 mttp -145.83 159.29 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 3.02 109.313 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.6 p -122.76 166.37 15.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 1.08 108.305 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.573 ' CE1' ' HD2' ' A' ' 15' ' ' LYS . 6.3 m-85 -127.42 136.75 52.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 1.74 110.968 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 35' ' ' ARG . 7.6 ptmt -85.16 -48.83 8.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 3.03 109.284 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -54.37 -28.33 42.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 3.46 109.319 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 15.7 m-20 -110.09 -15.09 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 2.13 109.293 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.472 ' OD1' ' CG ' ' A' ' 32' ' ' LYS . 3.4 t30 49.52 60.53 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 3.14 109.302 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.901 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -144.72 166.28 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.78 109.336 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.524 ' HG ' ' HG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -122.46 118.11 27.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 1.19 108.285 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.683 ' HG2' HG23 ' A' ' 25' ' ' ILE . 5.3 mtpm? -104.47 139.19 39.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 4.15 109.3 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.808 ' CE1' ' CD2' ' A' ' 42' ' ' PHE . 47.5 p90 -152.84 161.3 42.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.61 110.975 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.409 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 9.2 mtpp -75.77 135.83 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 3.28 109.301 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 3.02 109.329 179.955 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.3 -0.629 . . . . 2.8 109.3 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.683 HG23 ' HG2' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -110.71 156.78 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 2.85 109.286 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.99 101.85 3.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.8 108.29 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.901 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -39.9 145.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 3.44 109.308 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.498 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 88.5 m -89.47 85.62 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.53 108.343 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.657 ' O ' HG13 ' A' ' 30' ' ' VAL . 29.2 p90 -107.04 46.2 0.94 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 5.34 110.985 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.915 HG11 ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -165.38 -66.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 3.97 109.28 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' H ' HG23 ' A' ' 30' ' ' VAL . 2.1 mptm? -115.53 105.98 13.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 4.19 109.311 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 12.0 ttpt -50.94 152.46 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 3.69 109.266 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 46.7 t -80.55 134.34 54.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 1.2 108.299 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.492 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -35.15 3.3 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.79 111.029 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.474 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 5.0 ptm180 172.79 144.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 5.31 110.293 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.559 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.5 m-20 -43.69 136.69 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 3.96 109.308 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.05 -17.3 59.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.77 111.005 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.592 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -55.08 118.18 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.65 109.31 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 9.5 tttt -62.08 148.85 42.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 3.47 109.267 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.524 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 1.8 t -160.78 160.73 31.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 2.26 108.265 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -121.23 118.91 30.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 2.77 110.283 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.808 ' CD2' ' CE1' ' A' ' 16' ' ' TYR . 9.0 t80 -84.75 107.34 16.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 1.06 110.992 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.619 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 4.4 t0 -68.31 132.03 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 2.43 109.343 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.572 ' HG ' ' HE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -93.02 -13.28 28.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 2.02 109.993 -179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.619 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -65.21 -9.34 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 7.53 110.988 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HE2' ' CZ ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -159.32 -44.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 3.82 109.328 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 110.87 21.17 6.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 1.4 111.0 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.915 ' CE ' HG11 ' A' ' 30' ' ' VAL . 1.3 tttt -66.36 -167.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 5.11 109.245 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -140.59 90.45 2.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 2.75 108.283 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -76.72 60.9 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 1.59 110.988 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.498 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.9 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 1.8 108.272 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.546 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.341 -0.614 . . . . 1.08 109.341 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 141.24 48.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 1.01 110.38 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.546 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 10.7 m-85 -109.17 117.73 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 1.71 110.975 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.438 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -87.12 149.92 24.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 2.22 109.295 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -178.16 -134.04 2.0 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.57 110.991 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 16.0 mttp -141.84 161.75 37.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 2.49 109.289 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.488 ' C ' ' HG ' ' A' ' 33' ' ' CYS . 3.8 p -132.47 155.53 48.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.97 108.286 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 12' ' ' ASN . 15.5 m-30 -114.62 135.22 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 2.57 110.989 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.7 ptmt -81.56 -46.27 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 2.1 109.319 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -56.96 -29.96 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 4.18 109.308 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 13' ' ' ILE . 9.5 m-20 -107.52 -11.72 15.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 2.5 109.281 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 8' ' ' TYR . 2.8 t-20 46.2 59.43 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 2.29 109.283 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.948 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.8 pp -144.63 161.14 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 1.02 109.311 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.52 132.27 55.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.28 108.289 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.81 173.44 9.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 5.02 109.279 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.482 ' CE1' ' HB3' ' A' ' 24' ' ' ALA . 21.1 p90 176.46 -169.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 1.35 110.974 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.47 120.82 41.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 5.46 109.319 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.85 109.281 -179.969 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.482 ' HB3' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.244 -0.651 . . . . 3.15 109.244 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.3 mt -105.65 147.78 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 1.62 109.297 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -142.74 108.75 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.63 108.291 179.97 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.948 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -38.1 144.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 4.92 109.32 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.426 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 14.3 m -97.61 126.12 42.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.37 108.354 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.608 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -82.65 -143.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 6.86 110.984 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.608 ' N ' ' CG ' ' A' ' 29' ' ' TYR . 77.2 t -31.98 -85.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 4.18 109.253 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.3 93.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 4.37 109.28 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' VAL . 14.7 ttpt -74.5 162.72 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 2.97 109.321 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.488 ' HG ' ' C ' ' A' ' 7' ' ' CYS . 2.4 t -74.3 141.86 77.76 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 1.25 108.319 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.5 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -37.87 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.519 1.799 . . . . 0.89 110.974 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -178.56 147.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 4.43 110.305 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -44.85 127.98 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 2.67 109.312 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.67 -18.25 53.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.95 111.011 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.5 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -49.57 119.36 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.77 109.309 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 15.4 ttmt -63.93 147.95 50.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 3.58 109.314 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.428 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 8.7 p -162.59 167.31 23.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 1.94 108.239 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -133.21 123.79 26.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 2.92 110.307 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE1' ' HA2' ' A' ' 47' ' ' GLY . 9.4 t80 -88.89 115.99 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 1.02 110.967 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.49 ' HB3' ' CD2' ' A' ' 45' ' ' TYR . 1.6 m-20 -74.52 117.54 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 3.01 109.334 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.471 ' HG ' ' HE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -78.91 2.0 21.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 3.2 109.973 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.49 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 3.4 m-85 -75.12 -45.94 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 5.19 110.995 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.52 -43.03 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 3.5 109.292 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 115.61 18.65 6.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 1.59 110.979 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -71.73 174.24 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 4.35 109.289 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.5 OUTLIER -122.16 121.04 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 3.54 108.293 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -108.07 77.49 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.83 110.994 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.89 108.318 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.92 109.312 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.545 HG22 ' HB2' ' A' ' 41' ' ' GLU . 1.2 m -71.53 141.84 50.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.77 110.394 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.45 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 67.4 m-85 -111.25 117.6 33.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.49 111.001 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.479 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -79.83 141.83 35.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 2.1 109.357 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -167.95 -155.87 9.71 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.8 110.985 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 12.3 mttt -128.39 166.92 17.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 1.97 109.292 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -132.62 172.39 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.99 108.294 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.52 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 7.8 m-85 -137.78 135.92 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.59 110.99 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -58.46 -71.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 3.11 109.348 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' LYS . 2.6 ttmm -39.35 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.23 109.317 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.589 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -52.5 -21.4 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 2.42 109.285 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.52 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 10.3 t-20 40.35 63.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 2.23 109.359 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.979 HD13 HG23 ' A' ' 25' ' ' ILE . 2.8 pp -141.49 -174.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.95 109.286 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' CYS . 2.6 t -135.76 107.72 7.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.24 108.288 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.457 ' HG3' ' CD1' ' A' ' 13' ' ' ILE . 48.2 mttt -89.2 130.13 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 3.26 109.293 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.758 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 4.9 p90 -149.62 162.91 39.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.46 111.017 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -70.36 153.35 43.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 2.85 109.318 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 3.21 109.286 179.982 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.279 -0.638 . . . . 2.48 109.279 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.979 HG23 HD13 ' A' ' 13' ' ' ILE . 5.1 mt -108.33 148.01 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 2.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -133.5 102.56 5.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.99 108.304 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.921 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -39.74 146.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 5.68 109.301 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 7.6 m -80.05 -177.74 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 1.76 108.268 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.881 ' CD2' HG23 ' A' ' 30' ' ' VAL . 18.6 t80 179.37 155.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 4.57 111.003 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.881 HG23 ' CD2' ' A' ' 29' ' ' TYR . 17.4 t 66.13 -74.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 3.51 109.315 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' TYR . 7.1 mmtt -114.54 90.25 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 5.02 109.324 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -42.71 163.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 3.75 109.269 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 39.3 t -58.43 136.34 85.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 1.26 108.346 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.96 -34.27 4.0 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.67 111.02 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 176.06 144.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 4.39 110.276 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.28 134.33 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.42 1.075 . . . . 2.43 109.26 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 94.98 -26.8 17.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.54 111.011 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.479 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -39.99 121.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.44 109.324 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 20.1 ttpt -69.21 147.74 50.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 2.3 109.298 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 17.0 t -159.95 162.0 34.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 2.38 108.27 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.545 ' HB2' HG22 ' A' ' 2' ' ' THR . 0.4 OUTLIER -128.61 131.67 48.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 2.87 110.294 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.758 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 51.8 t80 -93.87 105.71 17.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.93 111.031 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.464 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.8 OUTLIER -67.09 119.38 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 4.03 109.296 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.59 2.61 24.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.35 109.977 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 43' ' ' ASP . 2.3 m-85 -74.64 -37.71 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 5.17 110.998 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -129.59 -50.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 3.04 109.296 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.523 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 118.53 35.21 1.01 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 1.13 111.002 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -94.42 -172.21 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 3.35 109.279 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.88 104.29 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 2.89 108.319 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -84.25 46.7 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 2.44 111.028 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.5 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 1.98 108.282 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.674 ' HB3' ' HE1' ' A' ' 45' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.264 -0.643 . . . . 1.56 109.264 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.701 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -72.66 122.16 20.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.99 110.375 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 18' ' ' ALA . 6.5 m-85 -88.17 118.0 27.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 1.66 111.013 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.661 HD22 ' N ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER -88.7 160.49 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 2.29 109.281 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.98 -135.89 2.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.45 111.005 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 73.6 mttt -152.58 148.43 27.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 1.89 109.305 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.495 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 13.0 t -123.46 154.71 38.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 3.25 108.324 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.837 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.6 m-30 -117.42 123.89 47.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 2.2 110.998 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.457 ' N ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -46.36 -60.86 2.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 2.57 109.299 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -45.11 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 3.66 109.299 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.687 ' O ' HG23 ' A' ' 13' ' ' ILE . 27.2 m-20 -62.77 -13.2 30.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 2.65 109.321 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.837 ' N ' ' O ' ' A' ' 8' ' ' TYR . 46.7 t30 31.93 61.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 2.99 109.292 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.936 ' O ' HD12 ' A' ' 13' ' ' ILE . 1.8 pp -138.92 145.16 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.17 109.315 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 0.5 OUTLIER -82.2 94.04 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.72 108.321 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.446 ' HG2' ' CG1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -88.77 108.05 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 4.31 109.322 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.522 ' OH ' ' CD1' ' A' ' 42' ' ' PHE . 55.4 p90 -153.45 -179.61 7.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.19 111.049 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.664 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 1.2 mmpt? -77.0 -128.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 3.28 109.319 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 2.69 109.333 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.302 -0.629 . . . . 2.71 109.302 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.718 HG23 HD13 ' A' ' 13' ' ' ILE . 10.1 mt 72.18 138.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 1.61 109.266 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' LYS . 48.8 t -159.09 112.07 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 1.52 108.283 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.835 ' HA ' HG22 ' A' ' 13' ' ' ILE . 3.0 mtpt -37.06 141.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 4.58 109.315 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.09 89.84 8.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.58 108.292 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 5.3 p90 -59.64 130.85 48.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 5.2 111.005 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.631 HG12 ' N ' ' A' ' 31' ' ' LYS . 6.3 t 59.74 -84.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 4.53 109.268 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.631 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -42.96 164.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 4.51 109.313 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -139.2 150.06 45.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 2.7 109.332 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.872 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -79.07 140.72 57.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 1.6 108.288 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.491 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.01 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.98 110.997 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -167.51 142.68 3.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 3.84 110.265 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.74 139.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 2.81 109.297 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 95.96 -25.59 24.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.55 111.043 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.872 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -38.64 115.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.44 109.279 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.83 148.86 37.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 2.3 109.309 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.48 157.77 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 2.48 108.291 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.402 ' HB2' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER -130.59 150.67 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 4.79 110.288 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.522 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 64.6 t80 -117.48 107.73 14.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.91 110.993 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.701 ' HA ' HG23 ' A' ' 2' ' ' THR . 3.4 t70 -68.85 122.86 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 2.86 109.307 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -91.98 17.33 9.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 1.45 110.01 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.674 ' HE1' ' HB3' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -107.0 -17.28 14.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 6.44 111.002 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -123.24 -56.66 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 4.46 109.326 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.91 28.71 2.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.446 1.091 . . . . 1.57 111.03 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.0 mtmm -109.7 171.06 7.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 3.46 109.312 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.64 99.09 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 2.36 108.329 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -73.98 82.89 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 1.35 110.98 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.97 108.301 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.285 -0.635 . . . . 1.3 109.285 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.84 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -98.67 124.23 43.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.98 110.348 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.607 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -93.06 124.72 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.73 111.007 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.731 HD22 ' N ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -89.66 164.41 14.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 2.15 109.297 179.966 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.83 -141.15 5.49 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.45 111.03 179.937 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 18.3 mttt -142.23 159.98 41.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 1.83 109.258 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -132.15 153.98 49.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 1.12 108.279 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.521 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 18.2 m-30 -114.49 153.6 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 2.07 110.999 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -93.48 -48.04 6.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 2.47 109.304 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -55.51 -26.13 41.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 3.42 109.234 -179.956 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.757 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -113.91 -12.57 12.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 2.25 109.296 -179.964 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 34.5 t30 42.81 60.41 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 2.52 109.285 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.983 HD13 HG23 ' A' ' 25' ' ' ILE . 2.7 pp -135.85 -179.4 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.83 109.299 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 6.9 t -134.65 104.62 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.31 108.272 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 8' ' ' TYR . 10.6 ptmt -97.4 128.47 44.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 3.69 109.298 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.564 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.4 p90 -156.59 174.64 15.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.09 110.992 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.05 99.73 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 4.01 109.282 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.512 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 1.83 109.355 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 2.69 109.309 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.983 HG23 HD13 ' A' ' 13' ' ' ILE . 2.7 mt 61.11 138.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 2.02 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' LYS . 27.4 t -156.08 112.45 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.45 108.287 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.718 ' HA ' HG22 ' A' ' 13' ' ' ILE . 27.7 mttt -33.14 139.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 3.6 109.284 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -67.08 -165.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.95 108.281 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -126.23 -159.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 4.11 110.98 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.587 HG23 ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -39.45 -75.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 4.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.587 ' H ' HG23 ' A' ' 30' ' ' VAL . 15.8 mttt -62.03 91.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 3.7 109.263 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 14.7 mtmt -48.62 173.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 3.59 109.299 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -74.78 143.26 78.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.38 108.29 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.467 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.2 Cg_endo -75.02 -44.03 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.89 110.997 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.9 OUTLIER -170.18 137.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 5.27 110.303 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.517 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.94 131.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 2.43 109.296 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 107.17 -26.83 17.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.72 111.005 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.549 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -38.3 120.32 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.63 109.346 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 151.05 47.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 3.39 109.335 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 1.3 p -155.25 174.41 15.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 2.24 108.298 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.2 pm0 -146.61 133.9 20.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 2.93 110.335 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.434 ' CD2' ' OH ' ' A' ' 16' ' ' TYR . 55.3 t80 -94.93 107.54 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.09 110.981 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.84 ' HA ' HG23 ' A' ' 2' ' ' THR . 4.2 t0 -78.32 136.44 37.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 3.05 109.347 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 p -98.5 -10.34 23.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 1.37 109.958 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.6 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -65.86 -10.92 42.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 6.59 111.025 179.983 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 22.0 mttt -149.41 -55.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 3.33 109.334 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.87 34.05 1.44 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 1.31 111.043 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.443 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -86.94 -157.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 3.68 109.291 -179.948 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.766 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -152.91 85.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.99 108.284 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -67.6 82.84 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 1.36 111.027 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.1 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 2.01 108.284 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.778 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -82.28 138.8 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.92 110.398 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 9.8 m-85 -110.61 117.38 33.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 1.68 111.0 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.431 HD22 ' N ' ' A' ' 4' ' ' ASN . 2.1 m-80 -88.94 157.43 18.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 2.51 109.309 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -179.78 -129.14 1.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.51 110.976 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 13.5 mttt -142.57 168.64 19.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 0.788 . . . . 2.33 109.316 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.6 p -140.84 155.01 46.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 1.03 108.299 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.741 ' HD2' HD11 ' A' ' 13' ' ' ILE . 38.0 m-85 -117.39 125.95 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 2.04 111.017 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -65.18 -48.64 72.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 2.58 109.349 179.949 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 2.9 tttm -51.99 -60.0 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 3.36 109.308 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.943 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.7 m-20 -78.97 -3.85 47.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 2.62 109.322 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.592 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.0 t-20 36.83 58.96 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 2.25 109.319 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.943 HG23 ' O ' ' A' ' 11' ' ' ASP . 2.6 pp -136.79 179.29 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.75 109.35 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.84 114.22 14.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.28 108.272 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.621 ' HD2' ' CE2' ' A' ' 8' ' ' TYR . 6.7 ptmm? -95.54 124.03 39.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 4.67 109.306 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.604 ' CD2' ' O ' ' A' ' 17' ' ' LYS . 18.2 p90 -150.52 173.26 14.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.26 110.978 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.604 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 4.6 mttt -72.23 163.26 28.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 3.38 109.309 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.727 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 3.62 109.277 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.727 ' HB2' ' HB2' ' A' ' 18' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.314 -0.625 . . . . 2.84 109.314 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.776 ' CG2' HD13 ' A' ' 13' ' ' ILE . 2.0 mt -104.23 136.89 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.63 109.305 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' LYS . 26.3 p -132.66 109.23 9.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 2.74 108.338 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.845 ' HA ' HG22 ' A' ' 13' ' ' ILE . 23.8 mtmt -39.11 154.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 3.43 109.276 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.062 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.7 m -95.65 151.38 19.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.16 108.289 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -86.64 -166.29 1.52 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 4.14 110.986 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -36.47 -54.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 4.9 109.311 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.35 79.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 4.58 109.331 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' VAL . 18.6 ttpt -54.52 155.19 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 3.29 109.342 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 8' ' ' TYR . 1.7 m -66.56 150.04 97.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 2.87 108.298 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.05 -46.19 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.8 110.954 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.478 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.7 ptt85 -172.95 138.07 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 3.82 110.277 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.478 ' C ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -33.35 135.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 2.26 109.343 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.35 -25.29 25.12 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.67 111.01 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -40.67 121.62 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 0.738 . . . . 0.52 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 16.4 ttpt -66.83 146.35 54.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 2.47 109.306 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 1.3 p -153.49 179.37 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 2.21 108.288 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.0 pm0 -147.8 139.86 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 3.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CD1' ' CD2' ' A' ' 3' ' ' TYR . 33.4 t80 -103.57 108.24 19.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 1.16 111.002 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.778 ' HA ' HG23 ' A' ' 2' ' ' THR . 4.4 t0 -74.71 132.45 41.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 2.8 109.298 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 p -95.44 -1.03 51.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 1.34 109.992 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -72.09 -13.67 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 7.35 111.027 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 21.4 mttt -147.9 -62.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 3.34 109.293 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.59 41.21 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 1.45 110.999 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -161.48 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 4.46 109.348 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' CYS . 12.5 t -140.56 90.3 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 2.25 108.29 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.07 59.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.21 110.992 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 1.062 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 4.4 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 2.23 108.296 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 0.89 109.3 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.644 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -80.69 145.56 31.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 110.413 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 10.9 m-85 -117.99 116.31 26.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 1.61 110.995 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.411 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -86.01 155.94 20.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.97 109.325 179.952 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -173.04 -136.89 2.26 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.51 111.016 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 32.6 mttt -144.55 158.98 43.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.787 . . . . 2.07 109.283 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.5 p -131.94 171.87 13.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.04 108.329 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.555 ' HD2' HD11 ' A' ' 13' ' ' ILE . 77.9 m-85 -139.05 134.85 33.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 2.18 110.976 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.4 mttt -56.58 -72.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 3.74 109.294 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -38.4 -77.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 4.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.795 ' O ' HG23 ' A' ' 13' ' ' ILE . 54.6 m-20 -51.34 -22.18 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 2.38 109.316 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.545 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 8.4 t-20 41.27 61.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 2.26 109.305 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.856 HD13 HG23 ' A' ' 25' ' ' ILE . 2.0 pp -138.9 177.95 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.83 109.285 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.317 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 24.3 t -129.84 99.72 5.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 1.16 108.249 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 25' ' ' ILE . 0.4 OUTLIER -93.52 137.27 32.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 3.05 109.291 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 3.0 p90 -165.51 -176.58 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 1.06 110.984 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -108.59 111.14 22.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 4.13 109.322 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 1.81 109.259 -179.944 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.297 -0.631 . . . . 2.68 109.297 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.856 HG23 HD13 ' A' ' 13' ' ' ILE . 4.3 mt 61.19 139.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.96 109.315 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 27' ' ' LYS . 35.2 t -157.62 115.31 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 1.71 108.296 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.745 ' HA ' HG22 ' A' ' 13' ' ' ILE . 5.6 mtpt -35.74 136.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 4.54 109.294 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.41 ' SG ' ' C ' ' A' ' 13' ' ' ILE . 58.5 m -89.34 131.22 35.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.42 108.306 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.51 ' CZ ' ' HG2' ' A' ' 48' ' ' LYS . 2.9 p90 -114.33 133.55 55.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 4.42 110.993 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.597 HG12 ' N ' ' A' ' 31' ' ' LYS . 3.2 t 64.09 -78.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 3.85 109.293 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.597 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -68.79 65.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 4.57 109.299 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -50.06 164.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 3.36 109.29 -179.978 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.494 ' SG ' ' CA ' ' A' ' 8' ' ' TYR . 36.2 t -69.7 135.86 88.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.27 108.298 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.581 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -35.12 3.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 1.01 111.007 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.517 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 10.2 ptt180 179.32 145.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 4.73 110.276 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.486 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.73 135.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 2.94 109.273 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 88.62 -23.84 14.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.6 111.004 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.581 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -39.29 121.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.776 . . . . 0.44 109.318 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -70.27 147.82 49.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 2.24 109.323 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 1.219 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 40.1 t -153.66 161.98 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 2.24 108.313 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -131.49 135.3 46.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 2.71 110.278 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -98.86 110.95 23.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.96 110.979 -179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.644 ' HA ' HG23 ' A' ' 2' ' ' THR . 2.3 t0 -77.0 134.03 38.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 2.9 109.297 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.5 p -95.4 -11.72 27.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.2 109.972 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -63.85 -10.81 22.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 6.86 110.977 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 11.1 mttt -147.4 -56.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 3.26 109.279 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.78 42.39 0.8 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 1.31 111.011 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -104.63 -161.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 3.23 109.271 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -139.24 94.83 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 2.1 108.302 179.947 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 10.9 m-85 -77.57 52.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.2 110.978 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 1.317 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 82.4 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 2.9 108.315 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.485 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.265 -0.643 . . . . 0.89 109.265 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.71 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.3 m -82.99 146.88 28.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.79 110.416 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.503 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 1.8 m-30 -106.51 177.41 4.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.64 110.997 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.77 151.09 44.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 2.34 109.274 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.28 -143.33 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 0.41 110.99 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' LYS . 48.0 mttt -143.88 146.25 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 1.98 109.33 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.9 p -117.23 153.27 33.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 1.13 108.304 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 12' ' ' ASN . 8.1 m-30 -113.83 139.11 49.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 2.18 110.986 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -78.35 -47.32 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 2.54 109.306 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -52.84 -39.98 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 2.97 109.322 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.672 ' O ' HG23 ' A' ' 13' ' ' ILE . 87.6 m-20 -101.91 -5.54 24.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 2.24 109.336 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 8' ' ' TYR . 22.2 t30 38.96 51.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 2.58 109.308 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.01 HD13 HG23 ' A' ' 25' ' ' ILE . 2.8 pp -135.36 154.38 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.89 109.315 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 9.0 t -102.2 108.64 20.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.29 108.308 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -94.69 129.85 41.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 3.82 109.326 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 2.1 p90 -164.96 158.49 17.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 1.13 110.995 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.747 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 24.4 mmtt -56.59 -103.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 4.02 109.325 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 1.87 109.258 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.291 -0.633 . . . . 2.97 109.291 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.01 HG23 HD13 ' A' ' 13' ' ' ILE . 8.7 mt 61.21 142.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 1.75 109.282 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' CYS . 35.4 t -157.04 103.97 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 1.33 108.279 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.823 ' HA ' HG22 ' A' ' 13' ' ' ILE . 19.4 ttpt -36.36 151.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 4.01 109.307 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.17 100.54 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.31 108.289 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.556 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -92.56 12.39 23.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 3.92 111.022 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.689 HG21 ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -114.87 -104.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 4.44 109.311 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.495 ' H ' HG23 ' A' ' 30' ' ' VAL . 1.9 ttmt -106.98 124.58 49.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 3.53 109.263 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.499 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 11.5 ttpt -39.6 148.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 4.19 109.312 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.437 ' N ' ' HG2' ' A' ' 32' ' ' LYS . 3.5 m -70.16 148.09 95.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 2.98 108.308 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.518 ' HG2' ' HB2' ' A' ' 38' ' ' ALA . 18.0 Cg_endo -75.07 -50.4 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.769 . . . . 0.67 111.02 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.9 ptt180 -169.25 142.28 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 3.63 110.267 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.468 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.35 125.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 2.78 109.323 179.935 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.81 -24.1 20.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.51 110.975 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.518 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . . . -42.61 117.35 1.01 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 0.732 . . . . 0.44 109.285 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 4.4 tttt -58.98 149.25 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 2.89 109.253 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.425 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 25.1 t -159.38 161.97 35.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 2.17 108.331 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 1.3 pm0 -138.51 137.81 37.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 2.88 110.307 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CD1' ' CE2' ' A' ' 3' ' ' TYR . 22.1 t80 -97.78 118.62 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.08 111.023 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.71 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.1 m-20 -84.63 135.28 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 2.82 109.305 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.0 p -96.02 11.33 34.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 1.32 110.012 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -84.8 -34.67 22.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 5.51 110.997 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HE3' ' HZ2' ' A' ' 48' ' ' LYS . 14.0 mtmt -131.87 -45.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 3.19 109.283 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.86 19.04 5.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.99 110.974 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HZ2' ' HE3' ' A' ' 46' ' ' LYS . 39.3 mttt -68.78 -167.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 4.5 109.303 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.689 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -144.39 89.54 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 2.13 108.322 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 36.4 m-85 -66.69 68.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.5 111.004 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 49' ' ' CYS . 6.9 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.81 108.353 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.287 -0.635 . . . . 1.36 109.287 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.915 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -97.02 121.74 39.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.94 110.439 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 21.1 m-85 -83.7 122.43 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 1.71 110.999 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.478 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -84.5 160.01 20.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 2.25 109.307 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.97 -154.78 14.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.74 111.004 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.403 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 31.2 mttt -138.49 156.96 47.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 2.22 109.274 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -127.98 151.87 48.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 1.14 108.324 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.568 ' CE2' ' HE3' ' A' ' 15' ' ' LYS . 17.2 m-30 -115.19 146.07 41.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 2.12 110.974 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.477 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -83.99 -45.84 12.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 2.16 109.327 179.968 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 1.6 tttt -58.27 -25.37 61.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 4.24 109.307 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.822 ' O ' HG23 ' A' ' 13' ' ' ILE . 6.2 m-20 -113.71 -11.21 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 2.38 109.317 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.522 ' OD1' ' CG ' ' A' ' 32' ' ' LYS . 4.9 t30 39.39 56.03 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 2.94 109.285 -180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.005 HD13 HG23 ' A' ' 25' ' ' ILE . 2.9 pp -133.6 172.89 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.8 109.265 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -125.33 104.09 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 1.94 108.304 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.568 ' HE3' ' CE2' ' A' ' 8' ' ' TYR . 9.3 ptpt -97.23 136.25 38.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 3.02 109.304 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.651 ' CE2' ' CB ' ' A' ' 42' ' ' PHE . 3.7 p90 -171.23 172.25 5.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.12 110.964 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 3' ' ' TYR . 9.7 mmmt -96.61 134.32 40.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 3.46 109.264 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 2.74 109.327 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.281 -0.637 . . . . 2.63 109.281 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.005 HG23 HD13 ' A' ' 13' ' ' ILE . 2.1 mt 61.49 135.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.81 109.296 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.512 ' O ' ' C ' ' A' ' 27' ' ' LYS . 10.6 t -155.75 111.17 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 1.51 108.275 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.696 ' HA ' HG22 ' A' ' 13' ' ' ILE . 13.9 mttt -31.49 143.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 4.09 109.302 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 49.8 m -78.29 84.25 4.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.57 108.316 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.729 ' C ' HG13 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -59.12 117.6 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 6.18 111.024 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.729 HG13 ' C ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 68.62 146.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 3.77 109.336 -179.959 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.21 -177.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 4.84 109.267 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.522 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 17.9 ttmt -138.99 146.5 40.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 3.72 109.289 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.564 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -62.79 143.61 96.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 1.39 108.317 179.981 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.3 Cg_endo -75.0 -45.86 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 0.93 110.989 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER -168.6 139.05 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 4.52 110.282 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.479 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.23 125.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 2.61 109.305 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 113.13 -24.63 12.37 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.48 1.113 . . . . 0.76 110.964 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.564 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -38.36 121.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.735 . . . . 0.69 109.312 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 152.68 25.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 3.33 109.28 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 49' ' ' CYS . 5.5 p -155.55 174.93 14.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 2.32 108.271 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -156.53 132.71 9.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 2.82 110.316 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.651 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 56.3 t80 -100.44 94.81 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.93 111.029 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.915 ' HA ' HG23 ' A' ' 2' ' ' THR . 3.6 m-20 -56.91 116.35 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 2.86 109.279 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.3 p -74.83 -1.32 21.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.53 109.96 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.493 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -79.7 -22.34 43.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 6.1 111.04 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -140.07 -47.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 3.49 109.323 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.563 ' HA2' ' CZ ' ' A' ' 42' ' ' PHE . . . 108.37 50.54 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.113 . . . . 1.23 111.01 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.584 ' CD ' ' CE2' ' A' ' 29' ' ' TYR . 13.7 mmtp -83.52 -105.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 3.44 109.323 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 29' ' ' TYR . 1.8 p 158.15 -25.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 3.77 108.298 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.473 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 64.5 m-85 37.5 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 1.83 110.965 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 2.18 108.313 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.318 -0.623 . . . . 1.08 109.318 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.594 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -85.47 138.37 32.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.95 110.368 -179.933 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.497 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 7.7 m-30 -88.28 -176.64 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 2.03 110.996 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -148.49 140.82 24.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 2.24 109.311 180.0 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -169.92 -142.21 3.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.13 . . . . 0.42 110.963 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' LYS . 21.1 mttm -135.8 159.27 42.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 1.93 109.343 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.439 ' CB ' ' HG ' ' A' ' 51' ' ' CYS . 2.1 p -132.35 152.05 51.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 1.0 108.333 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 12' ' ' ASN . 18.6 m-30 -115.19 139.09 50.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 1.86 110.991 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -80.21 -47.76 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 2.4 109.289 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.31 -29.05 63.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 4.04 109.32 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.796 ' O ' HG23 ' A' ' 13' ' ' ILE . 5.2 m-20 -107.96 -10.57 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 2.05 109.347 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.551 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 11.9 t-20 42.36 54.84 4.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 2.42 109.351 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.071 HD13 HG23 ' A' ' 25' ' ' ILE . 2.7 pp -137.21 169.36 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.66 109.345 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 1.8 t -126.19 103.81 7.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.27 108.24 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HD2' ' CZ ' ' A' ' 8' ' ' TYR . 3.0 ptmt -96.06 129.24 43.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 3.26 109.28 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.574 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.1 p90 -154.39 179.54 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.17 111.014 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.18 99.39 8.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 3.04 109.286 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.49 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 1.84 109.307 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.299 -0.63 . . . . 2.59 109.299 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.071 HG23 HD13 ' A' ' 13' ' ' ILE . 4.4 mt 60.59 136.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 1.71 109.324 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 27' ' ' LYS . 2.0 t -153.34 104.45 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.38 108.319 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.775 ' HA ' HG22 ' A' ' 13' ' ' ILE . 4.6 mtpt -36.63 138.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 5.34 109.276 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -86.87 124.23 32.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 2.16 108.344 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.689 ' CD1' HG23 ' A' ' 30' ' ' VAL . 1.4 p90 -112.67 13.41 19.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 4.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.689 HG23 ' CD1' ' A' ' 29' ' ' TYR . 79.6 t -119.23 -104.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 3.56 109.304 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.641 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -94.06 98.65 11.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 3.44 109.27 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -36.64 149.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 3.65 109.3 179.947 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 2.1 t -60.77 139.54 93.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 1.36 108.324 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.523 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.96 -46.63 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.533 1.807 . . . . 0.72 111.017 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.1 ptt180 -164.31 136.86 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 3.73 110.264 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -36.12 130.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 2.38 109.303 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.25 -26.22 24.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.51 110.989 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.523 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.36 124.47 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 0.43 109.339 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -68.83 150.29 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 2.82 109.235 -179.941 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.431 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -149.77 -177.17 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 2.3 108.273 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 40' ' ' CYS . 1.1 pm0 -153.87 122.59 6.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 2.91 110.313 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.588 ' CE2' ' HA2' ' A' ' 47' ' ' GLY . 1.8 t80 -91.61 118.48 30.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 1.35 111.019 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.602 ' CG ' ' CE1' ' A' ' 50' ' ' TYR . 1.3 m-20 -76.01 125.67 29.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 2.55 109.313 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.78 1.46 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 2.79 109.956 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.66 -40.83 9.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 5.46 110.991 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -117.15 -40.38 3.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 4.28 109.283 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.588 ' HA2' ' CE2' ' A' ' 42' ' ' PHE . . . 83.8 62.78 1.73 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 1.49 111.003 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 29' ' ' TYR . 2.9 mmtt -101.07 -88.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 4.18 109.305 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 1.8 p 157.35 -22.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 3.87 108.332 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.602 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 40.9 m-85 37.66 76.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 1.73 110.99 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.439 ' HG ' ' CB ' ' A' ' 7' ' ' CYS . 76.4 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 2.12 108.334 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.28 -0.637 . . . . 1.04 109.28 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.453 HG22 ' HB3' ' A' ' 41' ' ' GLU . 3.2 m -56.64 130.45 45.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.69 110.439 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -93.31 117.56 30.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 1.63 111.021 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.32 155.18 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 2.5 109.306 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.35 -150.09 10.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.75 110.986 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -142.82 160.91 39.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 2.77 109.336 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.475 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 25.3 t -128.71 156.38 43.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 3.34 108.314 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 8.6 m-30 -116.47 148.59 40.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 2.31 111.001 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 8.5 ptmt -85.31 -50.62 7.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 2.28 109.321 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 4.1 tttt -53.36 -31.98 47.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 3.23 109.276 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.5 ' CB ' HG13 ' A' ' 13' ' ' ILE . 13.7 m-20 -105.87 -16.74 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 2.57 109.333 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.561 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 7.0 t30 45.62 53.96 8.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 2.57 109.309 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.793 HD13 ' CD ' ' A' ' 15' ' ' LYS . 1.2 pp -144.8 145.98 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 1.23 109.3 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -93.86 112.5 24.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 1.6 108.267 -179.977 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.793 ' CD ' HD13 ' A' ' 13' ' ' ILE . 2.7 mptt -97.74 105.68 17.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 5.4 109.298 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 17' ' ' LYS . 11.4 p90 -134.53 -170.46 2.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.99 110.979 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 9.0 mmtt -80.53 154.58 27.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 2.89 109.294 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 3.77 109.301 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 18' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.283 -0.636 . . . . 3.41 109.283 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.52 HG23 ' HD2' ' A' ' 15' ' ' LYS . 4.9 mt -111.95 142.91 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 2.13 109.312 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' LYS . 21.6 p -149.75 106.97 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 2.58 108.276 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HA ' HG22 ' A' ' 13' ' ' ILE . 30.9 mttt -39.5 146.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 3.48 109.298 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.622 ' SG ' HG22 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -78.15 120.0 22.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.76 108.346 179.96 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.437 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 3.5 p90 -99.83 12.04 37.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 6.53 110.971 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.673 HG23 ' N ' ' A' ' 31' ' ' LYS . 12.7 m -98.25 -139.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 5.88 109.303 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.673 ' N ' HG23 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -95.63 47.14 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 8.04 109.288 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HG2' ' N ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER 58.64 144.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 4.78 109.287 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.555 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.3 t -60.38 141.83 91.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 1.4 108.298 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.2 Cg_endo -75.04 -33.54 4.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 0.97 110.943 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.16 151.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 3.77 110.342 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.54 128.32 28.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 2.47 109.31 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.79 -23.24 17.62 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.58 110.947 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.555 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -45.18 114.86 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.49 109.286 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 17.4 tttt -61.91 150.61 37.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 2.84 109.325 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -164.8 160.57 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 2.3 108.288 -179.998 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 2.1 mt-10 -129.78 141.68 50.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 3.64 110.293 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 34.1 t80 -100.17 107.92 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.21 111.01 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.49 ' OD1' ' CE1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -69.23 106.38 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 2.89 109.301 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -76.39 0.42 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.22 109.986 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 1.4 m-85 -76.68 -34.97 58.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 5.8 111.013 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -127.2 -45.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 4.16 109.329 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.95 33.46 3.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 1.22 110.985 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 49' ' ' CYS . 31.7 mmtm -71.24 -117.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 3.75 109.278 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 158.87 85.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 1.9 108.298 -179.977 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.49 ' CE1' ' OD1' ' A' ' 43' ' ' ASP . 4.6 m-85 -67.91 59.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.56 110.972 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 3.6 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 2.54 108.295 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.664 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.297 -0.631 . . . . 0.97 109.297 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.714 HG22 ' HB3' ' A' ' 41' ' ' GLU . 2.9 m -64.09 143.01 58.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.86 110.416 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 6.2 m-30 -97.75 -163.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 2.28 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 8.1 m-80 -155.59 141.27 17.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 2.56 109.331 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -166.81 -135.09 1.8 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.42 111.003 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 29.0 mttt -146.98 160.01 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 2.54 109.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 p -134.91 153.41 52.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.98 108.334 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.546 ' CD2' HD11 ' A' ' 13' ' ' ILE . 17.3 m-30 -114.8 134.4 55.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 1.87 111.043 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -75.37 -48.35 23.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 2.15 109.327 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 1.7 ttmt -54.76 -47.9 73.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 3.54 109.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.445 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 73.3 m-20 -89.79 -6.14 56.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 2.44 109.332 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.517 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.5 t-20 38.67 61.09 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 2.41 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.834 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.0 pp -142.86 165.3 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.32 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.525 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 2.5 t -123.48 110.81 15.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.27 108.312 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.683 ' CG ' HG23 ' A' ' 25' ' ' ILE . 1.4 mtpm? -104.68 135.47 46.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 2.84 109.292 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.913 ' CE2' HG21 ' A' ' 23' ' ' THR . 2.2 p90 -164.23 157.2 17.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 1.06 111.039 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.96 109.27 18.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 4.53 109.278 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.719 ' HB2' ' CB ' ' A' ' 23' ' ' THR . . . -52.27 160.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.92 109.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -57.1 -20.19 24.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 4.2 110.313 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.41 14.51 5.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 2.6 109.969 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.0 4.25 54.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.145 . . . . 2.96 110.993 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -68.18 -66.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 6.89 109.32 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.913 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.28 -173.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 5.52 110.397 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.747 ' N ' HG23 ' A' ' 23' ' ' THR . . . -179.07 -153.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 2.32 109.305 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.683 HG23 ' CG ' ' A' ' 15' ' ' LYS . 1.4 mp -43.66 141.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.94 109.272 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' LYS . 42.4 t -146.91 108.98 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 1.39 108.321 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.834 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -34.03 140.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 4.99 109.328 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.432 ' CB ' ' ND2' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -76.55 77.25 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.66 108.24 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.827 ' O ' HG22 ' A' ' 30' ' ' VAL . 6.3 t80 -62.68 114.38 3.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 5.02 110.955 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 74.54 146.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 3.64 109.302 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER 39.38 74.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 3.29 109.269 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 33' ' ' CYS . 3.7 ttmt -40.68 160.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 4.69 109.326 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -56.59 144.34 64.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 1.32 108.298 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.01 -45.03 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.563 1.823 . . . . 0.78 110.972 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -167.49 137.76 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 4.11 110.301 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.493 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.35 132.04 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 2.45 109.352 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.4 -19.9 52.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.5 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -44.41 118.05 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.45 109.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 1.6 tmpt? -62.67 146.98 50.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 3.53 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.502 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -157.46 153.23 26.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 2.21 108.316 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.714 ' HB3' HG22 ' A' ' 2' ' ' THR . 23.1 mt-10 -116.83 150.91 37.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 3.87 110.322 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.565 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 75.8 t80 -106.45 99.38 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.04 110.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.586 ' CG ' ' CE1' ' A' ' 50' ' ' TYR . 1.7 m-20 -62.28 122.29 15.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 2.69 109.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.664 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 13.2 p -90.84 24.73 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.32 109.975 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -111.59 -24.18 10.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 5.61 110.97 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -131.89 -51.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 3.95 109.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.88 25.06 4.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 1.07 111.029 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -148.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 3.15 109.305 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.414 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -159.23 70.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 2.63 108.281 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.586 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 8.6 m-85 -45.89 95.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 1.51 111.038 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 50.7 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 2.42 108.316 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.68 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.308 -0.627 . . . . 0.93 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.719 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.7 OUTLIER -68.93 126.87 31.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.09 110.354 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 3.8 m-30 -85.55 -165.94 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 2.36 110.972 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 4.5 m-80 -154.9 144.57 21.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 2.85 109.241 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -168.38 -132.42 1.42 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.51 111.012 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 11.2 mttp -144.55 166.55 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 2.1 109.264 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' ALA . 5.8 p -142.18 154.1 44.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.97 108.297 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.537 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 17.6 m-30 -114.27 141.0 48.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 1.83 111.01 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -81.43 -47.91 12.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 2.28 109.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -54.34 -38.21 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 4.62 109.318 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.858 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.5 m-20 -102.01 -7.57 22.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 2.43 109.332 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 55.3 t30 38.35 58.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 2.47 109.258 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.984 HD13 HG23 ' A' ' 25' ' ' ILE . 2.8 pp -136.61 162.2 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.74 109.301 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' CYS . 12.6 t -115.82 111.71 20.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 1.25 108.289 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -109.11 131.5 55.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 2.69 109.319 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.933 ' CE2' HG21 ' A' ' 23' ' ' THR . 2.2 p90 -163.76 157.6 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 1.29 111.002 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -85.58 109.67 18.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 3.73 109.309 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.718 ' HB2' ' CB ' ' A' ' 23' ' ' THR . . . -53.1 160.01 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 2.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.561 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 17.5 tt0 -59.88 -18.19 42.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 5.02 110.249 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.0 9.93 4.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 2.83 110.02 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.68 -0.2 61.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.459 1.099 . . . . 3.13 111.017 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' THR . 9.6 tttp -64.57 -66.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 7.03 109.304 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.933 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.6 -174.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 5.6 110.384 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.743 ' N ' HG23 ' A' ' 23' ' ' THR . . . 179.29 -152.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 2.22 109.346 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.984 HG23 HD13 ' A' ' 13' ' ' ILE . 1.5 mt -52.27 133.86 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 2.03 109.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' LYS . 4.9 t -138.38 108.81 6.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.74 108.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.908 ' HA ' HG22 ' A' ' 13' ' ' ILE . 20.7 ttmt -37.84 155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 4.62 109.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -89.8 87.12 6.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 1.28 108.278 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.558 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 9.0 t80 -79.72 6.3 11.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 4.48 110.987 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 31' ' ' LYS . 2.1 t -122.33 -139.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 4.09 109.288 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -63.44 115.81 4.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 4.58 109.329 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 18.9 ttpt -39.84 154.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 2.91 109.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -69.81 147.19 96.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 1.45 108.334 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.05 -46.59 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.453 1.765 . . . . 0.65 111.011 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.9 ptt85 -172.89 143.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 3.6 110.318 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.524 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.1 t0 -37.03 134.33 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 2.21 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.85 -23.49 34.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.44 111.021 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.479 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -41.62 120.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.36 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -65.9 146.88 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 2.43 109.267 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 14.8 t -152.16 162.01 41.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 2.19 108.326 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -125.76 146.75 49.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 2.94 110.318 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 46.9 t80 -108.23 107.58 18.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 1.01 111.027 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.719 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.8 OUTLIER -72.91 124.94 26.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 2.76 109.303 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.68 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 59.7 p -91.5 28.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.28 109.973 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -113.01 -24.85 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 5.57 111.01 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -126.92 -54.38 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 3.26 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.79 26.75 3.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 1.2 111.047 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -94.51 -165.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 5.76 109.276 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.11 96.3 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 2.79 108.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -75.6 78.88 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 1.68 111.017 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 95.3 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 2.11 108.316 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.443 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.281 -0.637 . . . . 0.93 109.281 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.773 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.8 OUTLIER -81.41 138.09 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.79 110.393 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 18' ' ' ALA . 3.5 m-30 -98.01 -166.68 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 2.11 110.984 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 4.0 m-80 -155.01 147.13 23.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 3.07 109.304 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 6' ' ' LYS . . . -168.85 -127.93 0.96 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.64 110.991 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 51.7 mttt -150.26 165.83 31.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 2.01 109.302 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.9 p -141.77 151.22 42.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.99 108.317 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.629 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.2 m-30 -114.5 140.74 48.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 2.14 110.979 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 12' ' ' ASN . 13.5 mttt -58.63 -73.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 4.26 109.305 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.3 tttt -38.74 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 3.59 109.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.713 ' O ' HG23 ' A' ' 13' ' ' ILE . 15.6 m-20 -52.5 -21.47 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 2.24 109.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.629 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 52.5 t30 38.86 56.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 2.49 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.977 HD13 HG23 ' A' ' 25' ' ' ILE . 2.8 pp -130.63 172.77 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.68 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 37.8 t -121.04 102.17 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 1.2 108.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -96.07 129.42 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 3.96 109.315 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.789 ' CE2' HG21 ' A' ' 23' ' ' THR . 2.0 p90 -162.36 163.77 27.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.23 110.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 18' ' ' ALA . 1.2 tmtt? -95.65 100.48 12.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 3.68 109.305 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.795 ' HB2' ' CG2' ' A' ' 23' ' ' THR . . . -45.9 169.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 2.02 109.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -66.57 -28.45 68.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 5.05 110.303 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -116.59 0.5 12.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 2.94 109.969 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.45 3.68 72.23 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 3.18 111.006 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -36.09 81.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 6.12 109.286 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.795 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -83.01 -176.59 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 5.42 110.422 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 161.43 116.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 2.55 109.327 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.977 HG23 HD13 ' A' ' 13' ' ' ILE . 2.1 mt 60.64 142.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 1.8 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' LYS . 43.4 t -160.44 108.44 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 1.37 108.302 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.914 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -37.56 139.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 3.73 109.293 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -72.34 75.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 1.36 108.317 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 1.2 t80 -83.99 4.43 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 4.38 110.983 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 48' ' ' LYS . 3.5 t -103.97 -64.54 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 5.25 109.285 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 6.7 mttm -149.67 129.5 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 4.05 109.324 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 29.0 ttmt -39.79 157.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 3.38 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -83.6 143.62 44.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 1.53 108.262 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.477 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 18.1 Cg_endo -75.01 -42.38 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.74 110.992 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -178.29 147.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 3.71 110.282 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.61 133.29 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 2.74 109.293 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.81 -27.94 17.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.502 1.126 . . . . 0.62 110.98 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.477 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -38.96 117.12 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 0.738 . . . . 0.46 109.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.707 ' HZ3' ' C ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -68.35 146.61 53.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 4.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.528 ' HA ' ' HZ1' ' A' ' 39' ' ' LYS . 38.9 t -152.58 161.54 42.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 2.26 108.314 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.63 ' HB2' HG22 ' A' ' 2' ' ' THR . 7.6 pt-20 -125.14 149.65 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 3.88 110.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.586 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 69.2 t80 -107.06 104.91 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.87 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.773 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.9 OUTLIER -67.77 135.53 52.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 2.6 109.307 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.422 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 15.8 p -95.58 -16.96 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.33 109.989 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -68.53 -9.21 47.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 7.15 111.004 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 20.4 mtpt -148.8 -58.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 3.88 109.288 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.2 49.16 0.41 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 1.03 111.035 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -118.62 175.27 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 3.36 109.263 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 14' ' ' CYS . 1.6 p -123.81 96.09 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 2.05 108.271 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.405 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 21.2 m-85 -66.82 67.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 1.62 110.968 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 3.6 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 1.67 108.262 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.572 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.293 -0.632 . . . . 0.85 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.772 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -78.13 142.87 37.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.81 110.43 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 2.8 m-30 -103.3 -169.46 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 1.89 110.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 13.1 m120 -150.92 147.0 26.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.99 109.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -170.63 -135.76 1.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.52 111.014 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 39.7 mttt -147.18 156.73 43.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 0.777 . . . . 1.86 109.291 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -126.21 159.21 33.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 1.0 108.256 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.5 m-30 -114.03 150.8 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 1.81 111.025 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 34' ' ' PRO . 3.7 mttt -81.39 -62.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 4.42 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -46.97 -56.77 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 3.92 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.811 ' O ' HG23 ' A' ' 13' ' ' ILE . 29.5 m-20 -75.51 -13.3 60.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 2.38 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.581 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 47.0 t30 38.51 54.21 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 2.37 109.29 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.912 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.3 pp -133.69 177.7 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.66 109.337 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 26' ' ' CYS . 1.0 OUTLIER -128.53 118.74 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.39 108.275 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.795 ' CG ' HG23 ' A' ' 25' ' ' ILE . 23.7 mtpt -111.64 133.99 53.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 3.26 109.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.959 ' CE2' HG21 ' A' ' 23' ' ' THR . 1.8 p90 -162.67 156.88 21.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 1.15 111.001 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -86.43 107.17 17.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 4.28 109.265 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.717 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -49.62 160.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 1.97 109.32 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 0.8 OUTLIER -60.29 -16.54 35.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 5.24 110.327 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.1 10.59 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 2.7 110.01 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.43 0.3 62.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.108 . . . . 3.15 111.015 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -65.22 -65.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 0.805 . . . . 7.09 109.325 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.959 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.71 -172.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 5.56 110.375 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.759 ' N ' HG23 ' A' ' 23' ' ' THR . . . -179.28 -147.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 2.27 109.263 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.795 HG23 ' CG ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -52.85 130.7 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 2.09 109.334 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' CYS . 8.6 t -130.18 100.79 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.38 108.325 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.912 ' HA ' HG22 ' A' ' 13' ' ' ILE . 2.4 ptpt -40.86 149.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 3.85 109.258 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.456 ' HG ' ' CB ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -65.0 -154.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 2.34 108.28 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.764 ' CD1' HG23 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -178.16 98.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 4.76 111.002 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.764 HG23 ' CD1' ' A' ' 29' ' ' TYR . 1.7 t 70.56 -71.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 4.4 109.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.77 72.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 4.18 109.276 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' VAL . 11.0 ttpt -41.73 151.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 3.17 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 8' ' ' TYR . 13.2 m -63.66 147.54 95.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 3.24 108.301 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.501 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.84 111.006 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 173.97 147.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 3.94 110.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 5.2 t70 -40.38 142.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 2.36 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.28 -28.6 7.93 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.72 111.019 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.501 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -40.93 115.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.57 109.261 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -65.64 145.01 56.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 2.33 109.336 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -155.12 160.05 40.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 2.17 108.278 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.521 ' HB2' HG22 ' A' ' 2' ' ' THR . 4.9 pt-20 -126.21 146.27 50.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 3.73 110.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.601 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 70.7 t80 -102.91 110.15 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.02 111.021 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.772 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.7 OUTLIER -74.75 136.09 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 2.87 109.32 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 p -94.09 -18.77 21.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 1.32 110.02 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.624 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -76.1 -8.36 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 6.27 110.992 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 62.8 mttt -152.71 -63.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 2.89 109.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.01 67.79 1.13 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 1.23 111.015 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 13.1 mmtp -117.21 10.94 13.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 3.81 109.298 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 43.06 77.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 2.61 108.292 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -59.12 87.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.38 111.035 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.456 ' CB ' ' HG ' ' A' ' 28' ' ' CYS . 12.2 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.95 108.299 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.326 -0.62 . . . . 1.14 109.326 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.661 HG23 ' HA ' ' A' ' 43' ' ' ASP . 4.1 m -68.51 138.72 55.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.85 110.375 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 19' ' ' GLN . 4.8 m-30 -92.29 179.52 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 2.19 110.999 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.402 ' OD1' ' OE2' ' A' ' 41' ' ' GLU . 3.8 m-80 -140.46 137.49 33.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 2.32 109.309 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.01 -139.06 2.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.39 111.015 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 33.9 mttt -147.83 156.78 43.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 2.42 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -127.54 155.79 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 1.1 108.302 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 18.1 m-85 -105.93 169.22 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 2.22 111.018 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -92.57 -69.78 0.73 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 3.55 109.257 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -42.17 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 3.79 109.319 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.855 ' O ' HG23 ' A' ' 13' ' ' ILE . 3.7 m-20 -59.12 -16.53 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 2.63 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.552 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 63.9 t30 37.38 63.47 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 2.82 109.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.988 HD13 HG23 ' A' ' 25' ' ' ILE . 1.7 pp -131.5 168.28 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.78 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' CYS . 1.2 m -114.5 110.12 19.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 2.12 108.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HD2' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -107.76 129.28 55.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 2.82 109.318 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.959 ' CE2' HG21 ' A' ' 23' ' ' THR . 1.8 p90 -161.09 158.31 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 1.14 111.012 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -87.34 105.32 17.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 3.78 109.259 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.758 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -48.22 161.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.97 109.314 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.566 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 65.6 tt0 -59.79 -26.91 66.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 4.48 110.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.72 9.15 10.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 2.78 110.014 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.93 6.06 77.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.437 1.086 . . . . 3.05 110.977 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' THR . 12.4 tttp -70.58 -64.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 6.41 109.287 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.959 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -52.29 -172.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 5.56 110.382 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.763 ' N ' HG23 ' A' ' 23' ' ' THR . . . 179.13 -153.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 2.28 109.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.988 HG23 HD13 ' A' ' 13' ' ' ILE . 1.6 mt -49.42 139.63 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 2.09 109.273 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 14' ' ' CYS . 4.0 t -146.16 111.79 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 1.95 108.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.897 ' HA ' HG22 ' A' ' 13' ' ' ILE . 18.0 ttpt -36.66 154.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 4.49 109.294 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.63 85.13 6.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.38 108.292 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.578 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 3.1 t80 -79.09 5.11 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 4.04 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.49 HG12 ' H ' ' A' ' 31' ' ' LYS . 2.0 t -115.28 -139.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 4.42 109.331 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -67.12 118.07 10.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 4.11 109.278 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.53 153.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 3.23 109.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.822 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.9 t -74.27 140.09 76.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 1.48 108.352 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -29.52 8.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 0.89 111.011 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER 172.49 140.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 4.43 110.277 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.56 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -36.07 137.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 2.68 109.315 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.4 -28.25 16.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.66 110.963 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.822 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -40.83 118.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.55 109.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -63.99 150.58 44.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 2.68 109.264 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 1.9 p -153.86 152.97 31.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 2.27 108.248 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' CD ' ' C ' ' A' ' 40' ' ' CYS . 1.3 mm-40 -122.84 129.76 52.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 3.4 110.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.609 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 71.3 t80 -92.76 101.52 13.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.91 111.016 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.661 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.4 OUTLIER -64.47 129.65 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 2.46 109.305 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 p -96.81 21.39 9.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 1.3 110.009 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -104.53 -25.89 12.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 5.63 111.021 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -126.39 -53.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 3.86 109.315 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.82 32.64 1.85 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 1.19 111.007 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.99 170.79 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 4.73 109.277 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.09 96.86 5.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 2.94 108.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -69.77 61.88 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.54 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.7 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.86 108.3 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.559 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.322 -0.621 . . . . 0.92 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.77 HG22 ' HB3' ' A' ' 41' ' ' GLU . 3.8 m -63.0 134.12 55.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.99 110.383 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 6.3 m-30 -89.22 -164.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 2.26 110.95 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 8.7 m-80 -155.77 148.25 23.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 2.73 109.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 6' ' ' LYS . . . -172.05 -132.08 1.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.41 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 26.2 mttt -148.89 160.53 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 1.98 109.322 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.453 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -134.04 158.31 43.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.13 108.303 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 17.6 m-30 -114.15 169.24 9.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.77 111.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.481 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 1.1 ptpt -99.48 -56.64 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 2.47 109.283 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.37 -56.46 8.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 3.53 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.838 ' O ' HG23 ' A' ' 13' ' ' ILE . 10.8 m-20 -81.07 -14.91 57.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 2.37 109.329 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 12.6 t30 40.29 61.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 2.99 109.315 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.925 HD13 HG23 ' A' ' 25' ' ' ILE . 1.7 pp -135.91 179.83 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.63 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.7 OUTLIER -127.88 112.85 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 1.49 108.291 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -108.82 131.9 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 2.74 109.26 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.945 ' CE2' HG21 ' A' ' 23' ' ' THR . 1.9 p90 -161.17 158.44 27.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.02 111.066 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -86.68 106.08 17.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 4.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.727 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -48.47 159.74 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 2.09 109.265 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -60.4 -15.72 28.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 5.72 110.267 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.91 9.08 3.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 2.56 110.029 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.56 0.0 66.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.444 1.09 . . . . 2.89 110.982 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 23' ' ' THR . 1.4 tmtt? -65.57 -65.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.58 0.812 . . . . 6.68 109.283 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.945 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.84 -173.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 5.44 110.408 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.751 ' N ' HG23 ' A' ' 23' ' ' THR . . . -179.57 -152.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 2.29 109.299 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.925 HG23 HD13 ' A' ' 13' ' ' ILE . 1.6 mt -50.02 141.57 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 2.02 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.2 t -148.67 112.6 5.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 2.13 108.273 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.843 ' HA ' HG22 ' A' ' 13' ' ' ILE . 13.7 mttt -35.61 150.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 3.83 109.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.15 -150.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 2.22 108.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.511 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -150.12 -147.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 3.67 111.001 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -41.61 78.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 4.39 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.939 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 7.9 mttt -84.48 71.0 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 4.48 109.286 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 31' ' ' LYS . 12.4 mtmt -43.99 167.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 2.98 109.316 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.849 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 2.0 t -79.53 139.09 54.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.45 108.297 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.507 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.05 -36.15 2.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.85 110.975 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.481 ' HA ' ' CE ' ' A' ' 9' ' ' LYS . 1.1 ptm180 -175.98 141.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 5.21 110.346 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.552 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.79 135.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 2.45 109.283 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 102.58 -28.67 14.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.555 1.159 . . . . 0.55 110.978 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.849 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -38.62 120.14 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.48 109.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -66.42 150.7 48.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 3.23 109.262 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.43 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 5.8 p -156.97 170.43 22.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 2.17 108.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.77 ' HB3' HG22 ' A' ' 2' ' ' THR . 22.0 mt-10 -134.15 156.28 48.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 4.19 110.27 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.584 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 58.6 t80 -111.78 96.43 6.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.17 110.991 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.624 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.2 OUTLIER -58.43 127.31 31.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 2.47 109.298 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.559 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 18.7 p -92.79 6.57 47.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.35 109.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.595 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -86.95 -33.33 19.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 5.26 110.963 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -127.35 -48.06 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 3.37 109.261 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.77 26.47 3.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 1.3 110.976 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.511 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -77.04 -171.2 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 5.27 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -142.32 84.96 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 3.36 108.308 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -51.25 170.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 2.93 111.012 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.939 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 2.76 108.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.506 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.305 -0.628 . . . . 0.97 109.305 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.721 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.2 m -79.06 128.22 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.89 110.361 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 2.8 m-30 -88.73 -172.34 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 2.2 110.988 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 0.8 OUTLIER -145.6 137.02 25.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 2.49 109.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -163.42 -139.82 2.72 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.44 110.972 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 36.7 mttm -144.03 161.13 39.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 2.59 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.3 p -130.93 153.31 49.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 108.283 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 16.8 m-30 -113.46 136.67 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.79 110.995 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -77.52 -47.89 18.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 2.49 109.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -53.62 -43.59 68.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 3.46 109.299 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.977 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -96.01 -7.54 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 2.31 109.319 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.51 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 59.7 t30 38.33 59.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 2.47 109.286 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.05 HD13 HG23 ' A' ' 25' ' ' ILE . 1.7 pp -134.91 177.57 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.88 109.302 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.03 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -127.0 107.51 10.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 2.04 108.288 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -105.43 130.54 53.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 2.87 109.334 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.927 ' CE2' HG21 ' A' ' 23' ' ' THR . 2.2 p90 -162.96 159.65 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.17 111.023 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -86.58 110.14 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 4.19 109.341 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.716 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -54.62 160.88 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 1.95 109.325 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -58.62 -23.8 59.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 4.97 110.31 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.48 11.97 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 2.7 110.022 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.23 3.73 62.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 2.97 111.001 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' THR . 20.1 tttt -67.95 -65.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 0.791 . . . . 7.23 109.309 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.927 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.56 -173.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 5.53 110.407 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.734 ' N ' HG23 ' A' ' 23' ' ' THR . . . 178.71 -154.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 2.3 109.314 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.05 HG23 HD13 ' A' ' 13' ' ' ILE . 1.4 mt -48.01 134.57 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 2.23 109.298 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' LYS . 22.9 t -140.26 109.03 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.77 108.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.83 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.4 ptpt -36.55 147.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 3.89 109.314 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.426 ' HG ' ' CB ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -60.53 -155.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 2.24 108.312 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.671 ' CD1' HG23 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -178.16 100.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 4.4 111.015 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.671 HG23 ' CD1' ' A' ' 29' ' ' TYR . 1.3 t 67.37 -71.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 3.85 109.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' TYR . 1.1 tttp -70.85 69.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 3.69 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 19.0 ttpt -40.47 153.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 3.1 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -65.65 144.29 98.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 1.3 108.276 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.49 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -45.16 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.7 111.016 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -176.35 143.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 3.58 110.276 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.3 t70 -39.25 136.69 0.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 2.46 109.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.94 -24.0 30.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.49 111.001 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.49 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -44.63 118.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.41 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.493 ' CE ' ' OE2' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -62.36 147.95 46.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 2.75 109.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.414 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 1.8 p -154.65 146.61 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 2.34 108.356 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.493 ' OE2' ' CE ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -116.5 129.92 56.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 3.43 110.25 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.601 ' CG ' ' CE2' ' A' ' 16' ' ' TYR . 65.0 t80 -89.37 104.31 16.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.9 110.972 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.721 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.7 t0 -70.27 130.07 41.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 2.58 109.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 p -95.53 -3.6 46.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.27 109.957 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.598 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -73.76 -11.41 60.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 7.02 111.039 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 16.1 mttt -143.66 -57.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 3.19 109.355 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.97 36.72 0.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 1.42 110.986 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' CE ' ' HB3' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -111.34 179.91 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 4.93 109.28 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.97 94.4 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 2.67 108.298 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.76 74.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 1.3 111.025 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 1.03 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.88 108.265 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.53 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.276 -0.639 . . . . 1.12 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.535 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.8 m -52.75 141.38 21.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.98 110.364 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.449 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 16.3 m-30 -96.01 -166.36 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 1.91 111.014 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 7.0 m120 -149.67 135.04 18.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 2.13 109.347 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -163.66 -139.71 2.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.39 110.999 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 18.4 mttm -141.09 164.79 29.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 2.63 109.305 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 1.6 p -138.39 156.32 47.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.98 108.253 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.731 ' HD2' HD11 ' A' ' 13' ' ' ILE . 39.2 m-85 -116.09 137.22 52.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.82 111.013 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -77.64 -48.87 15.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 2.33 109.282 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 15.4 tttt -54.04 -44.46 71.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 3.57 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 13' ' ' ILE . 4.8 m-20 -90.79 -14.21 32.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 2.15 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 2.4 t-20 46.66 53.33 10.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 2.23 109.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.93 HD13 HG23 ' A' ' 25' ' ' ILE . 2.0 pp -136.6 174.66 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.69 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -129.87 122.41 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.35 108.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.472 ' HD3' ' CE2' ' A' ' 8' ' ' TYR . 1.6 pttp -115.47 137.3 52.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 4.48 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.939 ' CE2' HG21 ' A' ' 23' ' ' THR . 1.6 p90 -159.91 160.97 34.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.9 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -89.02 103.3 15.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 4.86 109.331 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.771 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -46.76 159.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 2.03 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -27.74 51.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 4.72 110.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.84 16.71 9.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 2.3 110.038 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 67.81 7.53 49.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.549 1.156 . . . . 2.76 110.954 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 23' ' ' THR . 10.4 tttt -70.29 -66.3 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 6.62 109.308 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.939 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -51.82 -171.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 5.36 110.375 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.747 ' N ' HG23 ' A' ' 23' ' ' THR . . . -179.7 -154.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 2.4 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.93 HG23 HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -50.05 134.92 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 2.36 109.253 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 27' ' ' LYS . 20.9 t -140.95 110.33 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 1.79 108.31 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.841 ' HA ' HG22 ' A' ' 13' ' ' ILE . 15.0 mtpt -33.29 146.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 4.65 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -82.92 -167.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 2.07 108.289 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.33 -149.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 4.62 110.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 t -50.66 -29.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 3.84 109.306 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.559 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 12.4 mmtt -86.48 57.01 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 4.33 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.6 ttmt -39.44 154.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 3.31 109.304 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 5.4 t -69.89 140.41 88.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 1.21 108.288 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.487 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.789 . . . . 0.73 111.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.5 ptt85 -170.05 139.85 1.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 3.67 110.299 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.474 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -35.75 134.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 2.44 109.322 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.69 -22.26 36.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.45 111.059 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.487 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -43.32 120.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.38 109.32 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -66.36 146.39 54.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 2.72 109.306 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 1.6 p -155.72 158.01 37.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 2.12 108.312 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.465 ' HB3' HG22 ' A' ' 2' ' ' THR . 5.7 mt-10 -119.13 139.61 51.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 3.34 110.304 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.502 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 79.4 t80 -97.74 103.58 15.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.93 111.004 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.571 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 4.0 t70 -64.5 121.62 14.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 2.76 109.329 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.53 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 12.7 p -90.7 19.57 5.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 1.19 109.972 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -111.31 -23.74 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 5.48 111.008 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -132.99 -48.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 3.63 109.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.66 7.84 13.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.147 . . . . 1.48 111.011 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 137.47 37.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 3.28 109.295 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.508 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 77.2 m -90.08 95.27 10.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 2.93 108.275 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -60.45 100.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 1.32 111.012 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 2.35 108.286 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.611 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.303 -0.628 . . . . 0.87 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.81 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -80.76 134.58 35.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.96 110.382 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.554 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 8.7 m-85 -90.85 -174.41 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 1.74 110.993 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -153.4 142.7 21.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 2.91 109.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -170.36 -128.44 1.02 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.552 1.157 . . . . 0.64 110.958 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.841 ' C ' ' HZ1' ' A' ' 15' ' ' LYS . 12.0 mttm -142.03 166.68 24.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 2.05 109.251 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.967 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.7 p -143.34 151.88 40.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.02 108.311 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.55 ' CG ' ' HE2' ' A' ' 15' ' ' LYS . 17.4 m-30 -114.55 136.6 52.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 2.02 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -76.72 -48.65 18.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 2.4 109.301 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 15.3 tttm -54.25 -45.56 72.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 2.87 109.328 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 18.9 m-20 -90.38 -10.5 43.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 2.42 109.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 8' ' ' TYR . 2.6 t-20 39.84 63.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 2.25 109.297 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.829 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.2 pp -140.99 176.76 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.95 109.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -129.93 110.52 11.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 1.77 108.329 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.841 ' HZ1' ' C ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -99.02 135.49 40.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 5.52 109.307 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.835 ' CE2' HG21 ' A' ' 23' ' ' THR . 2.2 p90 -164.9 157.19 15.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 1.01 110.957 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 101.36 13.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 3.47 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.789 ' HB2' ' CG2' ' A' ' 23' ' ' THR . . . -45.48 169.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.93 109.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -28.69 69.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 4.32 110.304 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.97 -0.19 12.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 2.32 109.995 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.28 2.71 80.13 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.485 1.116 . . . . 2.82 111.035 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -65.24 -41.58 94.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 6.56 109.344 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.835 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -76.57 -175.43 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 5.16 110.393 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 160.59 116.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 2.86 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 1.5 mt 60.75 136.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 2.11 109.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' LYS . 52.2 t -157.68 109.51 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.81 108.316 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.829 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -37.42 141.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 5.12 109.334 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.406 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -73.81 -162.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 2.31 108.295 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.545 ' C ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -178.35 122.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 5.63 110.991 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.545 HG23 ' C ' ' A' ' 29' ' ' TYR . 2.1 t 69.19 -70.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 3.22 109.337 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -80.03 58.47 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 3.87 109.321 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LYS . 16.1 ttmt -39.11 156.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 4.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 7' ' ' CYS . 1.8 m -68.16 140.52 93.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 3.35 108.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.497 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -57.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.501 1.79 . . . . 1.11 111.006 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 3.2 ptt180 -158.05 146.06 18.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 3.42 110.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.537 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.05 135.4 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 2.56 109.289 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 94.49 -27.48 13.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.431 1.082 . . . . 0.54 110.996 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.497 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -39.54 123.95 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.45 109.277 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -73.24 147.2 44.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 2.39 109.331 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 1.31 ' SG ' ' HA ' ' A' ' 51' ' ' CYS . 6.9 t -154.73 170.69 21.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 2.58 108.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.572 ' HB2' HG22 ' A' ' 2' ' ' THR . 11.1 pt-20 -133.87 148.55 51.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 3.65 110.297 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.554 ' CD2' ' CE2' ' A' ' 3' ' ' TYR . 55.6 t80 -106.18 106.92 17.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.88 110.962 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.81 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.9 m-20 -72.89 129.56 38.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 3.05 109.302 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.611 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 91.1 p -92.91 11.9 25.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.32 109.988 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.432 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 3.6 m-85 -90.05 -33.06 16.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 5.32 111.01 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -124.94 -50.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 3.57 109.295 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.42 23.16 4.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.159 . . . . 1.03 110.976 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -97.75 177.19 5.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 5.88 109.282 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.76 97.22 6.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 2.39 108.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.438 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 14.7 m-85 -71.91 56.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.5 111.053 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 1.31 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 2.8 108.274 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.518 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 1.11 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.847 HG23 ' HA ' ' A' ' 43' ' ' ASP . 2.2 m -79.25 143.36 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.97 110.363 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.62 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 2.3 m-30 -100.44 -179.31 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 2.19 111.056 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -147.87 150.05 33.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 2.83 109.307 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 178.82 -148.37 8.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.47 110.98 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 44.3 mttt -134.96 156.47 48.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 1.86 109.262 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -119.4 150.54 40.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 1.01 108.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CD1' ' OD1' ' A' ' 36' ' ' ASP . 16.0 m-30 -113.08 131.79 55.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 1.76 111.007 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -60.06 -63.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 3.44 109.314 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -72.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 3.63 109.317 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.932 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.7 t0 -62.71 -13.9 37.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 3.3 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.542 ' N ' ' O ' ' A' ' 8' ' ' TYR . 49.3 t30 37.95 60.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 2.35 109.328 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.055 HD13 HG23 ' A' ' 25' ' ' ILE . 2.7 pp -134.92 -175.98 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.03 109.348 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -128.98 105.72 8.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 2.21 108.333 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HZ2' ' HE2' ' A' ' 8' ' ' TYR . 22.3 mttt -88.48 139.34 30.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 3.38 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.758 ' CE2' ' HB3' ' A' ' 24' ' ' ALA . 53.5 p90 -166.29 163.49 17.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 1.23 110.961 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 7.5 mttt -88.22 130.83 34.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 4.84 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' GLY . . . -81.83 155.82 25.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 1.83 109.296 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -40.26 -39.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 6.29 110.353 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -48.79 68.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 3.47 110.024 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . 128.26 -10.53 6.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 3.77 111.016 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 4.7 tttp -75.86 -115.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 8.74 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 m -161.07 138.78 9.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 6.81 110.391 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.758 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . . . -130.92 128.03 39.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 3.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.055 HG23 HD13 ' A' ' 13' ' ' ILE . 11.6 mt -97.71 141.15 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 1.69 109.249 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.2 t -139.3 103.71 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 1.46 108.296 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.825 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -40.77 149.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 1.136 . . . . 6.07 109.336 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.707 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -63.59 -150.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.98 108.287 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.47 ' CE2' ' HD2' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -156.7 -147.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 4.0 111.024 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' ' 30' ' ' VAL . 6.1 t -54.66 -27.48 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 4.63 109.289 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 73.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 4.47 109.307 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 14.7 ttpt -40.8 153.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 2.94 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 1.7 t -53.48 141.31 44.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 1.27 108.332 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.515 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.96 -39.69 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 0.89 111.036 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.5 139.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 3.98 110.276 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.571 ' OD1' ' CD1' ' A' ' 8' ' ' TYR . 14.2 t70 -39.59 137.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 2.4 109.353 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.15 -23.1 34.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 0.6 110.978 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.515 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -49.4 117.44 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.47 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -59.25 148.83 30.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 2.3 109.297 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 p -156.87 162.12 39.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 2.38 108.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 2.1 pm0 -143.0 145.37 32.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 2.85 110.246 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' A' ' 3' ' ' TYR . 62.6 t80 -101.39 106.1 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 1.35 111.053 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.847 ' HA ' HG23 ' A' ' 2' ' ' THR . 2.1 m-20 -78.9 127.99 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 3.23 109.317 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.8 p -86.32 5.84 32.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.67 109.976 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -82.25 -35.99 27.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 5.79 110.974 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -117.0 -48.69 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 4.9 109.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.432 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . . . 116.06 14.26 7.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 1.36 110.98 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -102.09 149.16 24.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 5.27 109.317 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -96.57 85.94 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 4.27 108.277 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -44.61 103.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 1.37 110.979 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.707 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.81 108.304 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.585 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.341 -0.614 . . . . 0.89 109.341 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.802 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.4 m -70.08 143.9 52.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.9 110.369 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 3.7 m-30 -102.43 -166.79 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 1.89 110.992 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 1.9 m120 -139.61 158.34 44.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 2.48 109.259 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 172.57 -158.74 29.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 0.58 111.002 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.423 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -131.31 166.48 21.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 2.61 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.52 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 1.7 p -136.48 171.76 14.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.99 108.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.585 ' CD1' ' HE3' ' A' ' 15' ' ' LYS . 4.4 m-85 -140.11 148.01 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 1.61 111.017 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' ASP . 2.0 ptmt -84.78 -58.94 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 2.31 109.32 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.83 -27.94 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 5.65 109.27 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 13' ' ' ILE . 36.1 t0 -108.28 -24.13 11.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 3.06 109.324 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' TYR . 5.6 t-20 53.11 51.75 15.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 2.33 109.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.907 HD13 HG23 ' A' ' 25' ' ' ILE . 2.3 pp -138.24 176.75 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.63 109.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' CYS . 2.1 t -132.73 124.46 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.37 108.298 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.948 ' HG2' HG23 ' A' ' 25' ' ' ILE . 11.2 mttt -112.18 142.2 44.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 4.03 109.271 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.943 ' CE2' HG21 ' A' ' 23' ' ' THR . 2.8 p90 -168.82 154.47 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.93 111.0 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -85.56 110.97 19.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 3.54 109.299 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.737 ' HB2' ' CB ' ' A' ' 23' ' ' THR . . . -52.61 160.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 2.06 109.259 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -57.6 -36.57 71.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 3.67 110.302 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.79 7.02 21.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 2.37 110.008 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.0 12.7 83.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 2.92 111.013 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 23' ' ' THR . 7.7 tttt -77.87 -63.01 1.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 0.719 . . . . 6.88 109.293 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.943 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -51.56 -172.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 5.35 110.393 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.745 ' N ' HG23 ' A' ' 23' ' ' THR . . . -177.03 -141.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 2.39 109.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.948 HG23 ' HG2' ' A' ' 15' ' ' LYS . 1.4 mm -55.75 146.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 2.52 109.288 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' CYS . 8.8 t -149.47 108.65 3.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.68 108.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.798 ' HA ' HG22 ' A' ' 13' ' ' ILE . 21.4 ttmt -37.02 154.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 4.16 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.584 ' HG ' ' HG ' ' A' ' 51' ' ' CYS . 10.1 m -99.69 110.72 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 1.37 108.336 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.811 ' O ' HG22 ' A' ' 30' ' ' VAL . 3.6 t80 -94.13 124.38 38.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 5.0 111.007 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.811 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 73.74 146.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 3.34 109.307 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER 39.77 81.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 4.38 109.327 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.99 164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 4.88 109.268 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -57.23 145.31 67.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 1.44 108.264 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.463 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.98 -42.58 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 1.01 110.972 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.8 ptt180 -173.77 139.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 3.75 110.338 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -38.15 133.03 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.41 109.327 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.47 -19.82 50.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.449 1.093 . . . . 0.6 110.987 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.463 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -41.13 120.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.45 109.314 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.8 OUTLIER -65.3 148.87 50.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 2.76 109.251 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -158.44 168.41 27.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 2.22 108.337 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.546 ' HB2' HG22 ' A' ' 2' ' ' THR . 9.3 pt-20 -134.33 148.89 50.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 3.56 110.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 75.7 t80 -102.51 107.64 18.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 1.05 111.002 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.802 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.6 OUTLIER -77.05 128.9 35.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 2.91 109.297 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 p -91.45 28.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 1.34 110.072 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -114.18 -23.6 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 5.49 111.017 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -130.41 -53.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 3.06 109.301 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.13 18.61 6.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 1.24 110.933 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -85.35 -168.13 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 0.752 . . . . 3.41 109.283 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.555 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.8 m -142.18 85.11 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 2.75 108.291 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -53.49 109.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 1.42 110.957 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.584 ' HG ' ' HG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.81 108.274 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.699 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.283 -0.636 . . . . 1.33 109.283 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.726 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -57.02 147.47 24.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 1.06 110.425 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 19.6 m-30 -102.9 -174.77 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 2.02 110.993 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 5.9 m120 -145.35 149.28 34.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.89 109.283 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -173.06 -129.68 1.18 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.6 110.974 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 18.1 mttm -149.04 159.92 43.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 2.05 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.407 ' CB ' ' HG ' ' A' ' 40' ' ' CYS . 1.3 p -128.98 155.19 45.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 1.04 108.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.57 ' HD2' HD11 ' A' ' 13' ' ' ILE . 38.8 m-85 -114.23 134.29 55.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 2.14 111.002 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 8.4 ptmt -75.62 -48.51 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 2.74 109.306 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 14.6 tttt -51.61 -48.84 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 3.66 109.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.898 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -90.92 -8.13 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 2.89 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' TYR . 59.9 t30 39.95 58.87 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 2.55 109.303 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.028 HD13 HG23 ' A' ' 25' ' ' ILE . 2.1 pp -133.1 175.67 10.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.92 109.266 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' HG ' ' CB ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER -127.65 112.37 14.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 2.43 108.31 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -99.3 153.61 18.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 3.1 109.295 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.669 ' CZ ' ' CD1' ' A' ' 42' ' ' PHE . 38.4 p90 -177.88 160.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.08 111.017 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -78.76 122.78 26.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 4.24 109.326 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.46 162.52 23.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 1.77 109.298 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -43.1 -36.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 5.83 110.289 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -55.92 -50.63 70.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 3.77 110.01 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.78 -4.12 7.0 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.48 1.113 . . . . 3.53 111.008 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -83.6 -114.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 9.67 109.325 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 1.7 m -160.33 134.88 7.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 6.51 110.405 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.608 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . . . -122.61 131.33 53.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 3.43 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.028 HG23 HD13 ' A' ' 13' ' ' ILE . 1.2 mt -107.9 144.54 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 1.67 109.357 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.4 t -141.16 102.26 4.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.92 108.32 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.879 ' HA ' HG22 ' A' ' 13' ' ' ILE . 4.2 ptmt -43.26 139.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 5.28 109.303 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -67.7 113.62 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 1.92 108.283 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -110.33 11.29 23.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 4.17 111.006 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.583 HG23 ' SG ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -132.09 -105.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 3.63 109.258 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.84 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -87.14 107.48 18.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 4.65 109.278 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 23.5 ttpt -40.11 154.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 3.32 109.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -71.38 144.71 89.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 1.32 108.305 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.04 -41.86 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.511 1.795 . . . . 0.84 110.979 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.473 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 3.8 ptt180 178.39 149.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 3.38 110.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.3 t0 -44.44 135.93 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 2.8 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' OD1' ' A' ' 36' ' ' ASP . . . 99.26 -30.15 10.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.63 111.003 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.475 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -41.61 117.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.5 109.267 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 1.8 tmtt? -60.63 148.59 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 3.69 109.318 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.44 ' CB ' ' HG ' ' A' ' 14' ' ' CYS . 2.5 p -161.2 154.69 21.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 2.29 108.28 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.51 ' HB2' HG22 ' A' ' 2' ' ' THR . 3.6 pt-20 -117.69 152.68 34.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 4.3 110.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.669 ' CD1' ' CZ ' ' A' ' 16' ' ' TYR . 42.3 t80 -115.66 110.01 18.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.94 111.001 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.726 ' HA ' HG23 ' A' ' 2' ' ' THR . 5.3 t70 -58.81 139.06 56.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 3.18 109.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.699 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 43.2 p -109.59 21.94 16.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.59 109.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.61 ' CD2' ' OD1' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -111.23 -21.04 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 5.38 110.986 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -135.34 -54.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 4.29 109.314 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.48 45.07 0.53 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 1.03 110.965 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -109.46 167.59 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.751 . . . . 5.34 109.283 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' CB ' ' HB2' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -115.08 101.48 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 2.49 108.281 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -80.36 64.99 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.25 111.041 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.84 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 2.93 108.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.742 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.331 -0.618 . . . . 1.08 109.331 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.64 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -59.91 135.99 57.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 1.24 110.347 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.429 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 20.5 m-85 -96.52 -172.13 2.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 2.09 110.992 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 0.6 OUTLIER -145.01 124.48 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 2.13 109.298 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.38 -139.81 3.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.45 111.025 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 18.8 mttt -147.09 158.64 44.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 2.04 109.328 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -134.4 156.93 47.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.26 108.284 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 15.3 m-30 -109.59 171.28 7.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 1.65 111.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -107.68 -47.51 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 2.31 109.257 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 7.6 tttt -53.98 -54.31 40.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 3.08 109.251 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -91.66 -5.75 53.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 3.16 109.324 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 10.2 t30 38.72 65.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 3.04 109.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.588 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.4 pp -132.95 175.06 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.95 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -131.58 106.43 8.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 1.57 108.343 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 9.6 mtpt -97.28 135.07 39.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 3.05 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.732 ' CZ ' HG21 ' A' ' 23' ' ' THR . 3.3 p90 -169.44 165.99 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.02 110.99 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -92.75 137.69 32.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 3.93 109.327 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.682 ' HB2' ' CB ' ' A' ' 23' ' ' THR . . . -92.28 36.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 2.64 109.301 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 3.8 tp-100 67.1 -59.01 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 5.67 110.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -89.37 5.21 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 2.38 110.003 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.66 3.17 71.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 3.26 110.958 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' THR . 35.2 tttt -55.77 -85.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 7.47 109.303 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.732 HG21 ' CZ ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -49.88 -178.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 5.68 110.443 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.671 ' N ' HG23 ' A' ' 23' ' ' THR . . . 164.66 118.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 2.77 109.268 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.438 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 1.6 mt 61.76 136.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.79 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.527 ' O ' ' C ' ' A' ' 27' ' ' LYS . 3.9 t -160.15 113.74 2.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 1.97 108.32 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.588 ' HA ' HG22 ' A' ' 13' ' ' ILE . 7.7 mttt -30.96 143.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 3.85 109.31 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 14.3 m -71.58 62.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.82 108.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.798 ' O ' HG22 ' A' ' 30' ' ' VAL . 7.3 t80 -44.49 117.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 4.87 110.986 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.798 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 73.48 146.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 4.03 109.283 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.6 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 4.02 109.323 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 27.6 ttmt -137.09 147.72 46.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 3.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.854 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -70.12 144.9 93.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 1.64 108.268 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.515 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.4 Cg_endo -74.99 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.98 111.036 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -166.37 143.61 5.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 3.96 110.27 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.57 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.63 133.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 2.41 109.312 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 104.11 -27.16 20.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.53 111.023 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.854 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -37.64 119.82 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.794 . . . . 0.45 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 8.0 tttt -70.52 150.85 45.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 3.81 109.329 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.1 t -154.38 162.71 41.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 2.57 108.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -123.41 121.41 35.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 2.74 110.332 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CG ' ' CE2' ' A' ' 16' ' ' TYR . 53.1 t80 -85.65 110.83 19.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 1.02 111.004 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.64 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.7 OUTLIER -64.15 126.6 28.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 2.39 109.291 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.742 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 24.9 p -88.85 -20.17 24.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 1.57 109.957 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -68.54 -9.73 51.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 7.14 110.955 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 46.6 mttt -151.53 -62.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 3.15 109.28 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.75 45.76 0.33 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.501 1.126 . . . . 1.3 111.024 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 174.83 5.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 0.733 . . . . 4.07 109.275 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.23 112.19 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 2.63 108.325 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.432 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 28.1 m-85 -95.33 63.6 2.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 1.37 110.968 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.65 ' SG ' ' HA ' ' A' ' 33' ' ' CYS . 4.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 3.45 108.336 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.531 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.3 -0.63 . . . . 0.92 109.3 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.822 HG23 ' HA ' ' A' ' 43' ' ' ASP . 2.1 m -71.89 150.45 44.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.83 110.393 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.553 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 4.9 m-30 -108.5 -169.58 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 1.74 110.983 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 9.0 m-80 -154.9 154.05 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 2.79 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.95 -133.65 2.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.51 111.024 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 57.7 mttt -144.9 162.5 36.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 1.95 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -136.58 160.68 38.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.98 108.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.541 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 21.0 m-30 -118.75 164.36 15.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 2.12 110.985 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -79.3 -77.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 3.37 109.288 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' LYS . 6.6 ttmt -40.18 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 3.59 109.271 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.505 ' O ' HG23 ' A' ' 13' ' ' ILE . 8.8 m-20 -53.88 -26.02 22.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 3.09 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.55 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 5.1 t-20 38.74 59.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 2.11 109.268 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.886 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.2 pp -132.17 -179.81 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.74 109.272 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' CYS . 35.1 t -126.47 107.93 10.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.28 108.309 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.639 ' HG3' HD13 ' A' ' 13' ' ' ILE . 5.7 mtpp -95.06 134.01 38.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 3.02 109.286 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.942 ' CE2' HG21 ' A' ' 23' ' ' THR . 2.3 p90 -163.95 157.08 18.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.11 111.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 18' ' ' ALA . 1.1 tmtt? -92.56 97.36 10.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 3.94 109.283 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.859 ' HB2' ' CG2' ' A' ' 23' ' ' THR . . . -41.8 162.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.99 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -57.75 -37.94 74.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 4.05 110.264 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.26 -3.48 22.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 2.25 109.981 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.08 11.26 85.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 2.68 111.015 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -44.23 56.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 5.7 109.265 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.942 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -70.26 -170.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 5.08 110.443 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.771 ' N ' HG23 ' A' ' 23' ' ' THR . . . 160.13 117.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 2.88 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.536 HG23 HD13 ' A' ' 13' ' ' ILE . 1.6 mt 60.73 142.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 2.08 109.322 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 27' ' ' LYS . 24.3 t -160.99 113.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.44 108.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.886 ' HA ' HG22 ' A' ' 13' ' ' ILE . 13.7 mttt -35.13 144.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 3.71 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.428 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 22.9 m -95.65 135.62 37.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.58 108.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.786 ' O ' HG22 ' A' ' 30' ' ' VAL . 16.2 t80 -116.42 128.89 55.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 5.03 110.973 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 72.49 145.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 3.5 109.284 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 30' ' ' VAL . 2.5 tttm 39.2 72.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 4.97 109.29 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 33' ' ' CYS . 12.6 ttpt -42.37 163.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 3.14 109.243 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.745 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 5.0 t -58.16 137.84 84.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 1.3 108.296 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.493 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 -40.82 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.89 110.967 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.6 ptt180 -171.14 140.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 4.24 110.277 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.91 135.52 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 2.64 109.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 100.77 -26.9 22.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.68 111.007 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.745 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -39.61 121.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.56 109.283 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 149.79 49.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 2.37 109.317 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -151.5 -175.1 5.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 2.36 108.235 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -155.57 148.66 24.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 2.91 110.313 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.553 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 35.5 t80 -104.16 108.03 19.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 1.2 111.037 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.822 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.8 OUTLIER -73.01 137.22 45.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 2.38 109.301 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.0 p -101.42 -18.21 16.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.49 110.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.604 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -63.84 -17.25 62.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 7.24 110.996 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 14.0 mttm -146.29 -64.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 3.77 109.291 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.49 44.66 0.76 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 1.33 111.019 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.529 ' HZ3' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -97.73 -11.61 23.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 4.01 109.28 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 55.95 83.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 3.82 108.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -63.96 120.2 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 2.06 110.964 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 3.63 108.335 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.806 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.299 -0.63 . . . . 0.95 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.59 HG22 ' HB3' ' A' ' 41' ' ' GLU . 20.1 m -59.06 145.32 42.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.04 110.358 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 19' ' ' GLN . 10.3 m-85 -103.37 -160.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.98 111.033 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 11.4 m-80 -158.3 142.77 16.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 2.51 109.329 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.14 -138.05 2.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.41 110.956 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 20.2 mttm -147.16 147.82 30.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 3.71 109.317 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.489 ' C ' ' HG ' ' A' ' 33' ' ' CYS . 12.9 t -123.56 160.25 27.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 3.26 108.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.551 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 16.8 m-30 -114.76 151.92 32.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 1.85 111.014 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -89.75 -48.26 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 2.37 109.336 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -58.04 -36.3 72.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 4.8 109.287 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.461 ' CB ' HG13 ' A' ' 13' ' ' ILE . 3.6 m-20 -97.99 -20.46 17.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 3.12 109.256 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.551 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 2.0 t-20 49.51 53.43 12.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 2.22 109.348 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.763 HG22 ' HA ' ' A' ' 27' ' ' LYS . 1.9 pp -143.97 143.82 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 1.41 109.317 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 4.7 t -99.49 123.23 43.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 1.5 108.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.846 ' HG2' HD12 ' A' ' 25' ' ' ILE . 0.7 OUTLIER -114.94 131.11 57.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 4.46 109.343 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.963 ' CE2' HG21 ' A' ' 23' ' ' THR . 1.2 p90 -156.52 163.85 38.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.06 111.033 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.22 99.75 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 4.33 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.778 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -40.8 159.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 2.05 109.347 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.575 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 3.0 tt0 -60.79 -16.21 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 4.79 110.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.21 9.33 3.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 2.48 110.003 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.72 0.47 68.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 3.07 110.993 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 23' ' ' THR . 15.6 tttm -66.17 -64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 0.737 . . . . 6.06 109.26 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.963 HG21 ' CE2' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -52.15 -171.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 5.44 110.407 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.769 ' N ' HG23 ' A' ' 23' ' ' THR . . . -177.64 -143.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 2.35 109.25 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.846 HD12 ' HG2' ' A' ' 15' ' ' LYS . 1.1 mm -58.8 139.5 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 2.38 109.293 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -144.93 107.03 4.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 1.99 108.255 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.763 ' HA ' HG22 ' A' ' 13' ' ' ILE . 13.5 mttt -35.58 145.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 3.86 109.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.956 ' SG ' ' HB3' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -88.37 90.17 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.69 108.333 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.791 ' O ' HG22 ' A' ' 30' ' ' VAL . 7.4 t80 -67.75 122.12 17.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 5.04 110.983 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 72.94 146.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 3.34 109.301 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER 37.83 84.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 3.29 109.289 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.27 179.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 2.85 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.893 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -75.25 143.12 76.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 1.56 108.298 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -43.26 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.49 1.784 . . . . 0.87 110.991 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -166.34 136.81 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 3.65 110.343 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.49 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -35.99 136.14 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 2.58 109.276 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 99.8 -25.15 29.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.59 111.038 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.893 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -39.25 120.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.51 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 1.2 ttmt -71.45 149.03 46.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 3.59 109.247 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.418 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -153.76 -178.94 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 2.09 108.333 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.59 ' HB3' HG22 ' A' ' 2' ' ' THR . 5.2 mp0 -144.24 144.33 31.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 2.74 110.26 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.447 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 93.3 t80 -102.26 98.89 8.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.89 111.03 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 46' ' ' LYS . 1.1 p-10 -63.88 121.18 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 4.17 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.806 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 13.4 p -88.51 15.82 7.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 1.28 110.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -101.41 -27.96 12.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 5.67 111.033 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' OD2' ' A' ' 43' ' ' ASP . 16.2 mttp -122.59 -51.83 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 4.25 109.284 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.69 26.37 4.21 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.553 1.158 . . . . 1.05 111.025 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -83.7 -156.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 4.51 109.257 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -156.15 69.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 3.27 108.271 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.417 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 19.9 m-85 -36.57 150.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 2.44 110.99 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.956 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 2.78 108.292 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.6 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.314 -0.624 . . . . 1.07 109.314 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -53.73 161.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.18 110.389 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 0.7 OUTLIER -133.41 120.81 21.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 1.92 110.987 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -73.99 159.53 32.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 2.29 109.303 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 172.04 -164.76 37.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.72 110.994 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 23.3 mttp -127.22 166.36 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 2.31 109.317 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -130.83 162.65 29.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.03 108.288 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' A' ' 15' ' ' LYS . 7.2 m-85 -122.65 138.13 54.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.33 110.954 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 7.2 ptmt -83.33 -48.81 10.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 2.49 109.306 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.73 -26.56 61.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 4.14 109.337 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 5.6 m-20 -108.12 -16.64 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 2.32 109.321 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' TYR . 14.2 t-20 48.49 62.41 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 2.39 109.339 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.779 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.5 pp -147.82 177.8 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.68 109.266 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.67 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 1.1 t -129.06 112.65 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.27 108.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.569 ' HD2' ' CD1' ' A' ' 8' ' ' TYR . 12.7 mttm -102.2 121.54 42.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 3.21 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.656 ' OH ' HG21 ' A' ' 23' ' ' THR . 10.4 p90 -143.28 -149.39 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.8 111.038 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.575 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -117.33 130.68 56.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 4.1 109.268 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.588 ' HB3' ' N ' ' A' ' 22' ' ' LYS . . . -78.2 167.01 22.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 1.64 109.3 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -50.5 -33.95 23.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 4.25 110.248 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.69 22.54 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 2.73 110.048 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.89 -3.28 61.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 2.41 110.979 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.588 ' N ' ' HB3' ' A' ' 18' ' ' ALA . 1.3 mtpm? -54.34 -87.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 5.25 109.31 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.656 HG21 ' OH ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -54.98 145.35 20.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 5.37 110.385 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.462 ' C ' ' CG1' ' A' ' 25' ' ' ILE . . . -141.64 13.23 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 3.76 109.299 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.471 HG23 HD13 ' A' ' 13' ' ' ILE . 1.7 mt -151.86 154.6 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.76 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 14' ' ' CYS . 20.3 t -155.91 100.02 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 1.66 108.308 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.779 ' HA ' HG22 ' A' ' 13' ' ' ILE . 8.5 mttt -37.88 141.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 3.6 109.335 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 56.4 m -100.42 120.0 39.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 1.33 108.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.513 ' CZ ' ' HG2' ' A' ' 48' ' ' LYS . 8.8 p90 -109.51 136.95 48.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 4.58 110.993 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.599 HG12 ' N ' ' A' ' 31' ' ' LYS . 3.3 t 64.0 -78.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 4.04 109.282 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.599 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -69.82 64.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 4.89 109.279 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.7 mtmt -47.11 164.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 4.08 109.293 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 37.4 t -70.95 137.05 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.2 108.304 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -32.2 5.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.77 110.995 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.459 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 172.56 141.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 5.74 110.294 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.561 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.4 m-20 -41.72 133.11 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 4.23 109.309 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.94 -17.4 59.33 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.78 111.017 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.481 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -53.09 119.11 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.42 109.321 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 7.9 tttt -63.8 147.87 50.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 2.47 109.337 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 1.6 t -157.5 160.91 38.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 2.1 108.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 2.2 pm0 -131.58 130.22 41.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 2.92 110.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.677 ' O ' HG22 ' A' ' 2' ' ' THR . 11.9 t80 -87.5 143.08 27.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.31 110.954 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.616 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 8.2 t70 -103.81 131.44 51.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 3.06 109.303 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.424 ' HG ' ' HE1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -102.77 19.22 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.81 109.994 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.645 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -108.76 -11.6 15.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 5.81 110.976 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -141.4 -47.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 3.45 109.311 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.79 12.89 15.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.96 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 5.5 mtpt -82.9 176.05 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 3.76 109.306 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -124.72 98.3 5.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 2.28 108.269 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -72.18 58.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 1.22 111.008 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 32.9 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 1.99 108.317 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.62 . . . . 1.13 109.327 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.666 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -99.21 141.33 32.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.96 110.386 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 5.7 m-85 -113.24 121.94 45.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.52 111.01 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.03 161.04 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 2.11 109.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -177.27 -143.67 5.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.4 111.025 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' LYS . 12.3 mttp -142.94 156.65 44.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 2.4 109.299 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.514 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 1.1 p -130.75 170.17 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.97 108.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.567 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 3.8 m-85 -141.28 150.36 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 1.96 110.959 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' ASN . 36.7 mttt -76.18 -65.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 4.53 109.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -39.55 -52.3 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 4.19 109.268 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.44 ' CB ' HG13 ' A' ' 13' ' ' ILE . 31.4 m-20 -80.74 -25.25 38.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 3.04 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.567 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 2.2 t30 49.18 48.71 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 3.03 109.316 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.854 HD13 HG23 ' A' ' 25' ' ' ILE . 2.6 pp -131.05 -177.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.94 109.367 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 51.5 t -137.25 108.14 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 1.28 108.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' HD2' ' CE1' ' A' ' 8' ' ' TYR . 13.6 mtpt -96.66 139.25 33.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 3.29 109.318 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.67 ' CE2' HG21 ' A' ' 23' ' ' THR . 3.6 p90 -167.32 172.21 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.98 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -99.27 120.8 40.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 3.27 109.263 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.742 ' HB2' ' CG2' ' A' ' 23' ' ' THR . . . -75.43 168.97 18.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.72 109.282 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.78 -50.32 10.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 4.11 110.239 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.32 19.31 13.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 3.15 110.008 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.57 6.56 55.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 3.14 111.008 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -16.09 30.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 5.01 109.252 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.742 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -110.67 -176.82 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 5.23 110.415 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.707 ' N ' HG23 ' A' ' 23' ' ' THR . . . 162.73 121.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 2.81 109.28 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.854 HG23 HD13 ' A' ' 13' ' ' ILE . 0.9 OUTLIER 61.1 134.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 2.13 109.355 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' LYS . 2.9 t -153.61 106.66 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 1.41 108.286 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.854 ' HA ' HG22 ' A' ' 13' ' ' ILE . 2.6 mtpt -35.01 139.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 4.69 109.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' TYR . 4.9 m -86.82 112.22 21.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 1.36 108.326 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.608 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 1.9 p90 -59.29 -148.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 6.34 110.99 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.608 ' N ' ' CG ' ' A' ' 29' ' ' TYR . 27.0 t -36.45 -63.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 4.3 109.259 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -54.34 90.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 3.64 109.265 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.498 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 29.9 ttmt -64.35 155.4 32.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 2.94 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 49.3 t -69.36 136.72 88.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 1.16 108.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.563 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.02 -36.86 2.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 1.07 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.86 160.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 3.55 110.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.482 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -55.43 135.78 50.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 2.93 109.29 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.21 -22.27 27.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.62 111.051 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.563 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -39.77 119.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 0.46 109.274 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -69.14 148.34 50.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 2.35 109.327 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 23.4 t -155.11 162.01 41.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 2.32 108.332 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.1 pm0 -131.86 134.71 46.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 2.91 110.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -96.86 113.29 24.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.95 110.989 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.666 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.8 t0 -83.84 131.53 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 3.03 109.296 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 p -91.2 -13.03 33.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 1.27 110.031 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.599 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -70.54 -8.13 49.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 6.45 110.997 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 28.1 mttt -148.01 -55.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 3.52 109.335 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.03 19.9 5.81 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 1.05 111.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -87.13 173.06 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 0.725 . . . . 4.5 109.277 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -122.92 97.48 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 2.41 108.293 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -71.46 63.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 1.42 111.022 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 1.63 108.316 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.291 -0.633 . . . . 0.95 109.291 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.518 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -67.67 147.02 53.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.94 110.369 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.45 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 56.3 m-85 -117.11 121.49 41.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 1.51 110.981 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.76 160.36 30.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 2.45 109.314 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 169.22 -165.16 38.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.88 110.994 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -123.82 169.69 11.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 3.72 109.331 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -132.68 159.99 38.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.99 108.319 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.577 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 6.8 m-85 -120.34 141.0 50.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.44 110.963 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -85.21 -48.36 9.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 3.24 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -55.07 -25.23 29.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 3.72 109.317 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' ILE . 33.6 t0 -112.53 -16.18 12.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 3.32 109.297 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.491 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 15.4 t-20 48.86 59.04 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 2.18 109.315 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.564 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -140.3 -177.39 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.85 109.25 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' HG ' ' HG ' ' A' ' 40' ' ' CYS . 2.2 t -136.98 116.93 13.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.16 108.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.937 ' HG2' HD12 ' A' ' 25' ' ' ILE . 26.9 mtpt -105.85 122.41 46.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 2.89 109.29 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.746 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 27.6 p90 -140.98 161.7 37.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 1.38 111.004 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -79.91 134.4 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 3.76 109.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.69 -119.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 2.37 109.283 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -126.06 0.37 7.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 3.98 110.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.11 11.97 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 3.84 109.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 23' ' ' THR . . . 85.44 -15.9 43.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 2.97 110.992 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 23' ' ' THR . 3.0 mmmp? -40.74 -29.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 5.34 109.242 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 23' ' ' THR . 0.7 OUTLIER 52.9 106.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 6.16 110.426 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.809 ' C ' HD13 ' A' ' 25' ' ' ILE . . . -100.49 159.75 14.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 3.34 109.331 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.937 HD12 ' HG2' ' A' ' 15' ' ' LYS . 2.1 mm -109.15 135.82 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 2.9 109.317 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' LYS . 11.2 t -129.15 100.21 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.84 108.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -38.6 151.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 5.39 109.307 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.406 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 65.8 m -75.17 178.91 5.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 1.58 108.343 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.656 ' CD2' HG23 ' A' ' 30' ' ' VAL . 20.0 t80 -179.51 148.03 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 4.66 110.94 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.656 HG23 ' CD2' ' A' ' 29' ' ' TYR . 2.2 t 66.85 -72.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 3.36 109.338 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' TYR . 7.2 mttt -107.87 80.45 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 4.02 109.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -40.43 160.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 2.64 109.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 42.6 t -58.68 135.99 86.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.22 108.277 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.95 -33.97 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.68 110.995 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER 172.66 140.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 5.08 110.298 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 21.0 m-20 -40.35 131.76 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 4.03 109.282 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.93 -17.47 56.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.57 111.006 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -55.7 120.2 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.43 109.27 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 8.5 tmtm? -66.48 147.92 52.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 4.01 109.311 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 5.2 t -159.32 162.42 35.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 2.25 108.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 2.1 pm0 -130.39 132.82 45.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 2.75 110.31 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.746 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 34.1 t80 -93.02 119.19 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 1.03 111.022 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.518 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.0 OUTLIER -80.47 124.3 28.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 2.6 109.289 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.15 21.27 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.4 109.942 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -104.94 -26.28 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 5.48 111.003 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -126.95 -53.5 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 3.97 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 114.98 19.46 5.97 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.115 . . . . 1.08 110.956 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -179.5 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 3.54 109.33 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 100.89 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 2.64 108.257 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -76.98 54.61 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.48 111.005 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.0 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.57 108.329 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.277 -0.638 . . . . 1.58 109.277 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.509 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -92.52 148.31 22.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 1.37 110.413 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.573 ' CE2' ' HG3' ' A' ' 19' ' ' GLN . 4.0 m-85 -115.31 112.46 22.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 1.9 110.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.697 HD22 ' N ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER -89.68 136.54 32.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 2.28 109.267 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -162.57 -135.47 1.82 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.49 111.018 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 8.5 mttt -139.44 162.14 35.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 1.84 109.336 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -128.87 172.11 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 108.295 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 5.7 m-85 -137.1 139.31 41.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 1.69 111.005 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.8 mttt -60.72 -72.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 2.92 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -39.74 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 3.05 109.35 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -54.44 -23.63 16.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 2.64 109.308 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.525 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 11.8 t-20 41.89 60.06 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 2.26 109.299 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.807 HG22 ' HA ' ' A' ' 27' ' ' LYS . 1.2 pp -142.32 -175.9 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.92 109.279 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.472 ' HG ' ' HG ' ' A' ' 40' ' ' CYS . 12.9 t -132.91 112.21 11.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 1.29 108.315 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.664 ' CG ' HG23 ' A' ' 25' ' ' ILE . 7.8 mttm -106.88 139.54 41.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 4.25 109.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.649 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -140.87 -175.99 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 1.21 111.014 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HA ' ' OG1' ' A' ' 23' ' ' THR . 0.5 OUTLIER -92.1 29.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 4.05 109.277 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' HB3' ' H ' ' A' ' 23' ' ' THR . . . 37.28 -139.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 2.6 109.355 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.573 ' HG3' ' CE2' ' A' ' 3' ' ' TYR . 3.1 mt-30 -125.46 0.4 7.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 4.28 110.345 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.07 18.65 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 3.41 109.98 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 23' ' ' THR . . . 86.23 -18.94 29.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 2.98 110.972 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' A' ' 23' ' ' THR . 3.5 mtmm -45.03 -26.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 6.72 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.465 ' O ' ' O ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER 50.8 105.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 6.51 110.389 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.605 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . -109.1 161.12 15.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 3.15 109.298 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.664 HG23 ' CG ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -112.96 139.18 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 3.27 109.301 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.1 t -127.22 98.87 5.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 2.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.807 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -39.12 142.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 4.88 109.339 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 76.3 m -91.19 125.36 35.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 1.28 108.289 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.523 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 1.3 p90 -111.92 136.01 51.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 5.26 111.033 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 31' ' ' LYS . 22.2 t 63.76 -79.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 3.99 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.585 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 12.3 tttp -70.06 62.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 3.61 109.294 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -43.37 164.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 2.73 109.285 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 41.1 t -68.34 135.95 91.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 1.27 108.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -33.86 4.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.763 . . . . 0.72 111.014 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 0.0 OUTLIER 174.94 147.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 5.82 110.315 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.83 133.07 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 2.48 109.272 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.51 -29.14 12.05 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.46 1.1 . . . . 0.61 111.035 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -39.66 122.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.5 109.283 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -73.17 149.02 43.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 2.47 109.314 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.472 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 4.7 t -160.57 162.04 32.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 2.4 108.276 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -130.93 133.72 46.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 2.65 110.302 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 2' ' ' THR . 34.1 t80 -99.02 120.37 39.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 1.38 111.005 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HA ' HG23 ' A' ' 2' ' ' THR . 6.9 m-20 -86.19 116.33 24.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 2.98 109.33 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.16 4.2 18.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 3.65 109.991 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.503 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 1.9 m-85 -81.49 -44.29 17.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 5.68 110.972 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -113.48 -48.03 2.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 3.89 109.292 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.94 18.52 6.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 1.56 111.01 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HG2' ' CE2' ' A' ' 29' ' ' TYR . 2.9 mtpt -75.78 -170.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 4.82 109.325 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 2.7 t -143.93 92.55 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 2.34 108.318 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.4 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 6.7 m-30 -70.63 77.86 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 1.49 110.983 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 1.86 108.328 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.495 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.305 -0.628 . . . . 1.3 109.305 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.422 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -64.04 133.53 53.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.85 110.383 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 18' ' ' ALA . 89.3 m-85 -100.7 126.16 47.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 2.27 110.964 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.419 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -94.27 152.22 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.8 109.286 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -168.98 -130.53 1.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.55 110.973 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.409 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 30.9 mttt -143.01 160.49 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 2.22 109.332 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 4.4 p -132.66 166.2 22.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 1.05 108.276 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' ASN . 6.6 m-85 -130.74 135.48 47.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 1.59 110.958 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -80.22 -48.84 12.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 2.56 109.325 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -54.73 -26.23 32.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 3.55 109.305 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.685 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -110.08 -14.16 14.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 2.55 109.294 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 8' ' ' TYR . 17.1 t-20 45.0 58.4 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 2.21 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.902 HD13 ' CG2' ' A' ' 25' ' ' ILE . 2.8 pp -139.87 170.29 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.88 109.315 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.828 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -120.54 122.16 39.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 2.13 108.292 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.611 ' CG ' HG23 ' A' ' 25' ' ' ILE . 2.2 mttt -114.45 147.74 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 3.97 109.27 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.708 ' HE1' ' HB3' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -161.48 -172.95 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 1.8 111.022 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.655 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 6.0 ttpt -73.39 -18.14 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 5.24 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 17' ' ' LYS . . . 81.51 -162.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 2.95 109.28 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -93.65 -64.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 5.08 110.271 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -38.82 -31.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 2.86 110.019 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 19' ' ' GLN . . . 117.97 -12.6 13.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.459 1.099 . . . . 4.23 111.001 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -78.96 -107.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.763 . . . . 9.22 109.318 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.6 m -154.31 164.1 39.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 6.87 110.383 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.708 ' HB3' ' HE1' ' A' ' 16' ' ' TYR . . . -174.21 158.36 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 2.53 109.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.902 ' CG2' HD13 ' A' ' 13' ' ' ILE . 2.1 mt -118.48 155.15 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 1.91 109.314 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' LYS . 24.0 p -148.95 100.03 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 2.36 108.311 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.882 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -38.57 143.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 4.05 109.302 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.849 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 34.9 m -93.24 123.51 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.39 108.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.581 ' CE1' ' CG2' ' A' ' 30' ' ' VAL . 7.7 p90 -112.46 5.06 17.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 3.98 111.032 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.581 ' CG2' ' CE1' ' A' ' 29' ' ' TYR . 1.8 t -121.23 -142.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 3.19 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.488 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -49.21 93.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 3.96 109.333 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.26 152.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 4.92 109.302 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 2.0 t -57.96 141.85 80.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 1.35 108.325 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.92 -40.75 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.81 110.987 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -174.41 139.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 4.68 110.312 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.452 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -37.34 132.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 2.26 109.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.5 -22.68 36.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.91 111.013 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.508 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -42.3 122.26 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.72 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -65.05 149.99 48.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 2.45 109.315 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER -155.17 176.57 12.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 2.3 108.32 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -141.74 129.04 21.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 2.94 110.284 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.571 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 36.3 t80 -99.37 135.89 40.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.93 110.995 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.576 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . 76.5 m-20 -80.28 130.65 35.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 2.43 109.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.495 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 21.2 p -89.01 59.2 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.91 109.981 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 43' ' ' ASP . 4.7 p90 169.71 -29.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 4.41 110.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 2.9 mttp -85.02 -34.59 22.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 3.44 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.11 16.76 79.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 1.1 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.509 ' HG2' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -104.53 -175.31 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 3.82 109.319 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.646 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -130.69 95.09 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 2.33 108.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -67.66 63.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.46 111.004 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.849 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.8 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 1.6 108.309 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.316 -0.624 . . . . 1.32 109.316 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.619 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -79.41 138.78 37.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 110.379 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.444 ' CB ' ' CD1' ' A' ' 16' ' ' TYR . 26.9 m-85 -108.22 118.68 37.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 1.71 111.001 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.429 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -78.78 160.48 27.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 2.36 109.298 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 167.82 -154.45 24.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.53 110.991 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -125.35 168.14 13.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 2.32 109.291 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 2.0 p -134.73 168.83 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 1.03 108.281 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 12' ' ' ASN . 8.2 m-85 -131.48 137.33 48.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 1.58 110.948 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' CD ' ' HA ' ' A' ' 35' ' ' ARG . 8.9 ptmt -81.13 -52.37 7.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 2.23 109.314 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -51.31 -31.47 21.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 3.99 109.303 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 15.4 m-20 -104.07 -18.37 14.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 2.14 109.321 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.529 ' O ' HG23 ' A' ' 13' ' ' ILE . 15.4 t-20 50.2 64.51 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 2.29 109.291 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.724 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -154.11 165.78 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.89 109.319 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.36 128.41 50.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 1.26 108.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -113.62 141.99 46.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 3.19 109.327 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.792 ' CE1' ' HB3' ' A' ' 24' ' ' ALA . 50.2 p90 -156.9 166.01 34.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 1.43 110.98 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -78.52 128.14 33.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 4.38 109.313 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.67 149.26 50.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.76 109.344 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -42.13 -30.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 4.4 110.274 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.98 -55.01 6.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 2.75 110.011 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 22' ' ' LYS . . . 154.04 -22.0 0.68 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.447 1.092 . . . . 3.61 111.037 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 21' ' ' GLY . 7.1 tptp -61.57 -123.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 9.8 109.332 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 m -159.18 139.36 12.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 6.55 110.406 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.792 ' HB3' ' CE1' ' A' ' 16' ' ' TYR . . . -130.81 127.31 38.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 3.44 109.315 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.54 140.12 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 2.24 109.33 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.9 t -125.13 99.71 6.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 2.22 108.362 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.724 ' HA ' HG22 ' A' ' 13' ' ' ILE . 21.1 mtpt -39.61 145.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 3.25 109.301 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.434 ' SG ' ' CA ' ' A' ' 13' ' ' ILE . 64.2 m -96.28 75.35 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 1.48 108.281 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.619 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 23.5 p90 -103.23 39.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 4.9 111.019 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.619 HG11 ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -158.23 -76.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 3.88 109.264 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.665 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 1.8 mmtp -106.33 85.9 2.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 4.79 109.324 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -38.88 156.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 4.22 109.304 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 27.6 t -78.37 138.76 59.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.23 108.263 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -33.84 4.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.66 110.978 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 12.3 ptm180 176.96 149.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 4.94 110.298 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -44.75 131.53 6.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 2.55 109.306 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 98.7 -27.66 18.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.62 110.987 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.475 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.26 121.52 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.52 109.315 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -69.8 148.37 49.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 3.02 109.275 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 14.3 t -167.04 162.08 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 2.4 108.284 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.572 ' HB2' HG22 ' A' ' 2' ' ' THR . 4.8 pt-20 -125.97 145.69 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 3.55 110.268 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.62 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 22.8 t80 -102.64 110.95 23.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.39 111.012 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.619 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.9 OUTLIER -74.21 124.73 26.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 4.08 109.327 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 p -89.57 14.75 10.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 1.55 110.01 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -94.88 -30.09 14.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 5.39 111.03 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -129.95 -46.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 3.86 109.289 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.463 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 111.07 24.73 5.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 1.55 110.973 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.619 ' HG2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.77 174.86 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 4.28 109.298 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -121.21 91.12 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 2.99 108.323 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -67.21 67.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 1.58 110.981 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.665 ' SG ' ' O ' ' A' ' 31' ' ' LYS . 1.8 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 1.93 108.302 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.488 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.292 -0.632 . . . . 0.86 109.292 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.629 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -75.92 124.86 28.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.0 110.391 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 57.7 m-85 -90.56 125.22 35.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.39 110.98 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.706 HD22 ' N ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -83.99 162.41 20.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 2.27 109.289 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 174.53 -142.76 6.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.5 111.014 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -140.43 169.62 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 3.31 109.282 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.5 p -135.07 154.04 51.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 1.08 108.319 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 32.5 m-85 -114.56 133.59 55.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 1.81 111.014 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 3.2 mttt -59.65 -69.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 3.4 109.294 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -41.45 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 5.19 109.353 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.718 ' O ' HG23 ' A' ' 13' ' ' ILE . 46.2 t0 -53.95 -20.63 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.117 . . . . 3.52 109.335 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.674 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 1.6 t-20 41.18 64.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 2.19 109.318 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.001 HD13 HG23 ' A' ' 25' ' ' ILE . 1.9 pp -140.93 -174.6 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.95 109.311 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -123.92 102.93 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 1.39 108.329 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -93.0 128.0 38.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 4.73 109.257 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.645 ' CE2' HG21 ' A' ' 23' ' ' THR . 3.6 p90 -158.27 175.66 13.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.97 111.018 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -95.75 141.85 28.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 4.39 109.295 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.678 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -92.05 162.28 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.79 109.319 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -27.05 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 4.06 110.297 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.81 20.97 6.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 2.08 109.976 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.86 11.44 37.12 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 2.5 111.009 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -71.33 -67.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 5.69 109.332 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.678 ' HB ' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -49.25 178.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 5.26 110.401 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 166.37 120.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 2.76 109.308 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.001 HG23 HD13 ' A' ' 13' ' ' ILE . 7.0 mt 62.07 135.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 1.64 109.339 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -142.54 110.05 5.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 1.37 108.322 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.943 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -35.57 132.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 4.79 109.257 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 21.5 m -95.21 121.16 36.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 1.43 108.275 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.676 ' CE1' ' CG1' ' A' ' 30' ' ' VAL . 27.5 p90 -116.27 3.56 13.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 4.3 111.012 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.676 ' CG1' ' CE1' ' A' ' 29' ' ' TYR . 18.9 m -117.01 -137.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 4.1 109.323 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.64 ' N ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -51.74 90.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 3.78 109.33 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -37.84 154.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 4.87 109.307 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 17.0 t -63.87 135.46 96.31 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 1.34 108.269 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -74.98 -31.72 6.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.61 111.007 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 171.84 140.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 5.26 110.242 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.546 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 23.6 m-20 -38.75 130.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 3.78 109.314 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.48 -19.9 48.83 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.65 110.971 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -53.1 120.64 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.42 109.278 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.655 ' HZ3' ' C ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -61.7 149.18 40.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 3.84 109.27 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 4.6 t -158.9 161.74 36.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 2.07 108.317 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.522 ' HB2' HG22 ' A' ' 2' ' ' THR . 6.0 pt-20 -130.02 145.2 51.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 3.6 110.319 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.504 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 44.8 t80 -109.03 112.12 24.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.83 111.035 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.629 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.6 OUTLIER -69.36 130.45 42.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 2.41 109.263 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.488 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 14.6 p -94.34 -21.85 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.18 109.975 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.599 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -64.88 -10.91 32.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 6.84 110.991 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.512 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 24.3 mttm -143.54 -54.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 3.6 109.309 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.47 1.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 1.21 111.017 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -113.14 -178.61 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 3.48 109.294 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.586 ' SG ' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -108.68 131.86 54.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 2.85 108.294 -179.967 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -122.27 50.93 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 1.48 110.983 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 97.6 m . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 2.08 108.33 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.43 ' HB3' ' OG ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 0.82 109.309 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.584 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -69.81 141.11 53.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.81 110.387 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 22.3 m-85 -108.13 116.16 31.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 1.6 111.004 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.95 146.43 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 1.98 109.317 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -169.72 -133.88 1.66 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.47 111.021 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' LYS . 34.9 mttp -145.39 156.45 43.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 2.06 109.3 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.657 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.7 p -119.9 167.88 11.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 1.15 108.318 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.648 ' HD2' HD11 ' A' ' 13' ' ' ILE . 52.8 m-85 -133.94 130.21 37.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.7 110.984 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.2 mttt -56.97 -70.4 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 3.14 109.3 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' LYS . 12.8 ttpt -39.64 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 4.45 109.293 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.741 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.3 m-20 -52.62 -21.02 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 2.53 109.278 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.541 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 8.6 t-20 40.29 63.28 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 2.24 109.283 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.036 HD13 HG23 ' A' ' 25' ' ' ILE . 2.3 pp -140.69 -176.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.91 109.285 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -121.0 105.76 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.77 108.333 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' CG ' HG12 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -94.35 132.42 38.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 5.1 109.34 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.823 ' CE2' HG21 ' A' ' 23' ' ' THR . 1.8 p90 -160.71 165.59 30.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.04 110.979 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.59 100.93 12.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 3.05 109.289 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.828 ' HB2' ' CG2' ' A' ' 23' ' ' THR . . . -47.59 173.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 2.12 109.262 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -41.82 88.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 4.5 110.324 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.64 1.33 15.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 3.25 109.958 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.4 -4.35 81.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.545 1.153 . . . . 2.7 110.973 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -36.67 50.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 0.721 . . . . 5.83 109.298 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.828 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -85.27 -174.34 5.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 5.04 110.436 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.743 ' N ' HG23 ' A' ' 23' ' ' THR . . . 161.73 115.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 3.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.036 HG23 HD13 ' A' ' 13' ' ' ILE . 52.4 mt 61.6 141.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 2.12 109.284 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.54 ' O ' ' C ' ' A' ' 27' ' ' LYS . 7.1 t -158.06 120.96 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 1.6 108.264 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.973 ' HA ' HG22 ' A' ' 13' ' ' ILE . 12.4 mmtt -29.8 141.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 5.13 109.266 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.1 m -86.51 -179.02 6.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.83 108.35 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.706 ' CD2' HG23 ' A' ' 30' ' ' VAL . 29.8 t80 179.64 162.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 4.4 110.986 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.706 HG23 ' CD2' ' A' ' 29' ' ' TYR . 3.9 t 72.65 -73.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 3.36 109.311 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.31 97.78 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 3.59 109.326 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -41.16 161.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 4.21 109.333 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 23.1 t -62.35 136.29 95.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.24 108.313 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.535 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -74.99 -33.14 4.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.68 111.026 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 172.68 143.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 5.73 110.313 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -41.47 138.25 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 2.59 109.281 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.97 -24.11 20.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.11 . . . . 0.54 111.016 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.657 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -45.89 117.89 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.45 109.29 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -61.11 148.35 40.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 3.17 109.289 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.499 ' HG ' ' CB ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -156.04 169.42 24.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 2.5 108.281 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -140.91 127.12 19.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 2.95 110.33 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.414 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 19.9 t80 -94.56 115.92 28.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.22 111.029 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.61 ' OD2' ' CD2' ' A' ' 45' ' ' TYR . 7.1 t70 -75.71 133.02 40.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 3.07 109.307 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.43 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 1.4 p -102.32 17.8 22.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 1.21 110.029 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.646 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -109.64 -15.34 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 5.87 110.99 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -127.93 -51.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 4.23 109.281 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.14 25.66 6.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 1.28 110.966 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.81 174.4 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 3.32 109.281 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.49 101.69 10.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.51 108.314 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -77.71 55.6 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 1.49 110.976 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.0 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 1.63 108.283 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.258 -0.645 . . . . 0.85 109.258 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -59.44 147.01 38.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.76 110.408 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.406 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 92.6 m-85 -116.81 117.95 31.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.59 110.998 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.482 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -87.19 152.22 22.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 1.78 109.303 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -171.42 -129.47 1.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.53 111.01 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 32.7 mttm -145.9 160.94 41.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 1.95 109.255 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 4.3 p -135.92 161.85 34.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.03 108.244 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.636 ' O ' ' N ' ' A' ' 12' ' ' ASN . 4.1 m-85 -129.98 126.73 38.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 1.58 110.973 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.516 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -55.01 -58.06 9.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 2.5 109.279 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 1.3 tptp -43.31 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 4.57 109.28 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.605 ' O ' HG23 ' A' ' 13' ' ' ILE . 2.4 m-20 -62.59 -12.66 24.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 2.38 109.31 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.636 ' N ' ' O ' ' A' ' 8' ' ' TYR . 56.4 t30 37.6 68.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 2.44 109.303 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.766 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.7 pp -145.03 167.03 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.76 109.325 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -117.81 115.58 25.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 1.46 108.304 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HG3' ' CD1' ' A' ' 13' ' ' ILE . 24.0 mttt -99.38 137.41 37.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 3.58 109.292 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.793 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 21.6 p90 -159.13 162.93 36.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.34 110.993 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -66.47 161.31 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 3.45 109.33 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -121.33 40.09 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 3.19 109.325 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 13.0 tt0 68.22 -58.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 3.99 110.279 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -81.69 6.07 16.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 3.54 110.039 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 23' ' ' THR . . . 84.6 -11.31 59.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 2.78 111.04 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 23' ' ' THR . 3.8 mttp -41.58 -28.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 5.63 109.272 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.521 HG22 ' O ' ' A' ' 23' ' ' THR . 0.8 OUTLIER 47.85 101.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 6.33 110.397 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.85 174.62 5.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 2.9 109.263 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.583 ' CG2' HD13 ' A' ' 13' ' ' ILE . 6.4 mt -113.39 156.48 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.89 109.256 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' CYS . 32.6 t -139.37 103.41 4.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 1.93 108.323 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.766 ' HA ' HG22 ' A' ' 13' ' ' ILE . 6.3 mttt -40.6 148.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 3.41 109.305 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.239 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -84.34 128.24 34.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 1.2 108.289 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.607 ' C ' HG23 ' A' ' 30' ' ' VAL . 9.7 t80 -127.33 150.54 49.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 4.96 111.027 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.607 HG23 ' C ' ' A' ' 29' ' ' TYR . 2.3 t 74.87 -69.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 3.18 109.321 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -123.79 121.2 34.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 4.06 109.319 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -61.02 -177.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 6.05 109.311 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -82.72 145.77 51.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 1.34 108.327 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.516 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.01 -43.48 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.74 111.021 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -172.43 148.74 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 4.85 110.293 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -44.19 135.59 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 2.65 109.318 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.76 -23.74 21.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.147 . . . . 0.76 111.047 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.516 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -40.02 119.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.61 109.265 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 1.4 ttpm? -65.31 146.69 54.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 2.95 109.271 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -158.35 160.49 36.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 2.14 108.273 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -124.08 131.63 53.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 2.79 110.351 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.793 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 38.4 t80 -98.28 113.66 25.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.89 111.033 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.608 ' OD2' ' CD2' ' A' ' 45' ' ' TYR . 9.4 t70 -66.58 130.55 43.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 3.32 109.301 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.1 13.48 29.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.19 110.02 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.634 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -109.17 -24.79 10.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 5.46 111.029 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -120.98 -59.63 1.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 3.63 109.297 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.57 14.07 7.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 1.19 111.039 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -79.12 -168.98 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 3.66 109.288 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.06 98.06 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 2.68 108.244 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -77.26 53.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.67 110.998 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 1.239 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.5 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 1.67 108.324 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.317 -0.623 . . . . 1.71 109.317 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.619 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -67.18 136.95 55.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.01 110.41 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 30.1 m-85 -107.86 114.9 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.85 110.986 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -72.38 162.63 29.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 2.35 109.298 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 167.6 -145.31 9.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.097 . . . . 0.41 111.024 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 72.3 mttt -133.86 160.8 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.76 . . . . 1.94 109.319 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.2 p -121.7 161.84 21.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.07 108.3 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 12.0 m-85 -121.41 137.08 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 1.72 111.044 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 7.2 ptmt -83.69 -48.5 10.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 2.82 109.309 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -58.45 -24.83 61.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 3.37 109.313 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.407 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 7.6 m-20 -110.39 -13.9 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 2.19 109.266 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.523 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 11.3 t-20 46.5 59.08 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 2.27 109.286 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.908 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -141.55 178.26 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.94 109.277 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' CB ' ' SG ' ' A' ' 49' ' ' CYS . 2.5 t -132.52 112.67 12.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 1.19 108.298 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -94.01 162.78 13.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 3.49 109.327 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.81 ' CZ ' ' HB3' ' A' ' 24' ' ' ALA . 54.1 p90 -178.31 165.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.4 111.008 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -76.16 126.82 31.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 3.33 109.347 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.76 149.04 50.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.71 109.303 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -41.85 -35.86 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 4.91 110.317 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.24 -50.26 34.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 2.8 110.009 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' LYS . . . 151.53 -20.35 0.92 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 3.84 111.001 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 21' ' ' GLY . 4.0 tttm -61.33 -123.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 8.93 109.307 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -161.66 136.19 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 6.68 110.369 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.81 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . . . -129.98 137.27 50.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 3.18 109.273 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.445 ' CG2' HD13 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -98.14 147.61 6.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 2.95 109.292 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.462 ' HG ' ' HD1' ' A' ' 42' ' ' PHE . 37.1 t -139.07 101.3 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 1.85 108.283 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.908 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -39.62 145.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 4.96 109.304 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.101 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 61.6 m -92.14 129.01 38.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 1.28 108.317 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CZ ' ' HE2' ' A' ' 48' ' ' LYS . 2.3 p90 -112.43 132.16 55.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 5.73 111.018 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 32' ' ' LYS . 78.9 t 63.92 -78.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 3.88 109.307 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' TYR . 4.3 mtmt -69.22 63.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 4.76 109.31 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.2 ttpt -44.46 161.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 2.63 109.267 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 36.1 t -68.51 136.89 90.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.23 108.282 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -32.72 5.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.75 111.044 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.469 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 1.6 ptp180 171.77 138.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 4.39 110.284 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 1.6 m-20 -39.5 133.51 1.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 4.05 109.341 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.42 -16.66 59.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.68 110.951 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.519 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -57.05 121.48 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.55 109.33 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 8.7 tttt -61.59 149.85 37.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 3.48 109.304 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.429 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 1.7 p -167.35 -179.46 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 2.28 108.271 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.582 ' HB2' HG22 ' A' ' 2' ' ' THR . 1.7 pt-20 -146.97 140.45 25.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 3.62 110.275 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.757 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 19.2 t80 -96.77 111.74 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.43 110.985 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.619 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.3 OUTLIER -68.8 137.81 54.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 2.33 109.288 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 p -105.15 -25.19 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 1.59 109.979 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.596 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 2.6 p90 -54.13 -22.26 10.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 7.37 111.012 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 2.6 ptmm? -143.87 -45.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 6.13 109.271 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.86 17.05 5.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 1.02 110.993 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HE2' ' CZ ' ' A' ' 29' ' ' TYR . 0.5 OUTLIER -67.01 -165.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.757 . . . . 3.98 109.31 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -147.75 87.79 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 2.34 108.277 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.529 ' CE1' ' OD2' ' A' ' 43' ' ' ASP . 4.4 m-30 -67.09 68.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 1.52 110.982 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 1.101 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.6 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 1.88 108.281 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.503 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 1.22 109.288 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.577 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -92.23 143.85 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.99 110.413 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.503 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 5.1 m-85 -118.66 124.53 47.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 1.58 111.001 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.431 HD22 ' N ' ' A' ' 4' ' ' ASN . 2.2 m-80 -89.93 161.94 15.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 2.48 109.311 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 175.14 -135.62 3.13 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.47 110.998 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 61.0 mttt -139.64 165.97 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 2.33 109.348 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 2.0 p -136.81 172.04 13.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 1.0 108.326 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.4 m-85 -135.94 133.08 37.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 1.48 111.019 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.47 -48.82 46.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 2.71 109.33 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -53.34 -54.44 36.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 5.19 109.314 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 13' ' ' ILE . 59.9 m-20 -82.46 -8.41 59.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 2.13 109.298 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.532 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 15.9 t-20 39.6 56.31 2.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 2.39 109.33 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.806 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.7 pp -141.04 171.32 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.72 109.295 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.93 123.64 35.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 1.31 108.335 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -104.63 131.98 51.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 4.03 109.289 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.631 ' CZ ' ' CD2' ' A' ' 42' ' ' PHE . 40.0 p90 -156.43 166.07 34.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.17 111.001 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 21' ' ' GLY . 1.7 mtmm -76.41 135.62 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 4.19 109.332 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.77 -170.83 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.77 109.29 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -27.44 68.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 5.71 110.316 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.6 -30.54 41.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 3.08 109.973 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.502 ' O ' ' CE ' ' A' ' 17' ' ' LYS . . . 112.61 -6.72 26.2 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.437 1.086 . . . . 4.27 110.951 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -65.11 -106.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 7.19 109.301 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.6 m -150.28 169.33 21.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 6.92 110.406 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 16' ' ' TYR . . . -174.47 125.73 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 3.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 mt -93.87 134.03 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.94 109.311 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -131.0 97.85 4.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.98 108.28 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.806 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -38.59 144.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 4.69 109.31 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 61.8 m -86.9 115.49 24.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.34 108.274 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.505 ' CD2' HG23 ' A' ' 30' ' ' VAL . 13.9 t80 -102.33 127.86 49.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 5.62 111.013 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.505 HG23 ' CD2' ' A' ' 29' ' ' TYR . 2.2 t 66.26 -73.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 3.24 109.303 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -73.58 61.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 5.41 109.313 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 1.4 ttpt -44.54 159.34 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 2.59 109.332 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.465 ' SG ' ' CA ' ' A' ' 8' ' ' TYR . 27.3 t -67.23 138.94 94.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 1.19 108.271 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.99 -43.38 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.79 110.997 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.3 ptm180 -171.65 144.46 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 5.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -39.47 134.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 2.23 109.308 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 92.8 -24.96 21.58 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.49 1.119 . . . . 0.72 111.033 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.481 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.22 123.58 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 0.745 . . . . 0.58 109.285 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 1.4 tmmt? -71.37 147.67 47.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 2.26 109.285 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 10.8 t -161.42 162.21 30.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 2.31 108.306 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.426 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 1.4 pm0 -126.15 134.17 51.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 2.78 110.337 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.631 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 63.7 t80 -92.71 119.4 32.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.16 110.964 -179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.577 ' HA ' HG23 ' A' ' 2' ' ' THR . 3.0 m-20 -91.47 123.14 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 3.52 109.299 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.3 p -74.3 -16.29 60.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 2.03 110.011 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -54.5 -23.69 17.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 8.01 110.969 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -156.25 -46.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 6.57 109.316 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.544 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 116.39 11.6 9.54 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 2.01 110.994 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 121.31 18.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 6.71 109.312 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -69.06 94.66 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 2.98 108.314 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -71.45 59.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 1.32 110.963 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.3 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 1.62 108.296 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.575 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -71.04 141.38 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.67 110.418 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.575 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 6.5 m-85 -107.65 123.93 49.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.6 110.976 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.699 HD22 ' N ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER -91.53 154.12 19.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 2.47 109.321 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -176.43 -140.42 3.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.453 1.095 . . . . 0.48 111.003 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 21.0 mttt -139.51 157.45 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 1.77 109.309 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -125.5 160.57 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.08 108.322 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 6.9 m-85 -115.72 147.0 41.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.4 110.997 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 2.2 ptmt -88.53 -51.49 5.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 2.29 109.277 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -58.21 -21.51 48.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 3.09 109.304 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.433 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -109.99 -24.42 10.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 2.12 109.283 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.587 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.5 t-20 54.09 53.44 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 2.23 109.324 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.839 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.8 pp -138.17 -179.57 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.81 109.322 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HG ' ' HG ' ' A' ' 40' ' ' CYS . 2.5 t -131.54 125.1 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 1.26 108.316 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HD2' ' CE1' ' A' ' 8' ' ' TYR . 25.9 mttt -108.86 120.93 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 3.59 109.281 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.65 ' CZ ' ' HB3' ' A' ' 24' ' ' ALA . 13.0 p90 -144.77 171.75 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 1.16 110.98 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -77.53 156.3 31.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 3.38 109.279 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.49 164.2 12.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.8 109.274 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -38.68 -71.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 6.28 110.323 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.4 -48.91 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 3.31 110.047 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' LYS . . . 142.38 -13.64 2.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 3.57 111.023 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 21' ' ' GLY . 11.2 ttmm -60.97 -120.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 7.81 109.299 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 16' ' ' TYR . 1.0 OUTLIER -161.8 157.23 23.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 6.03 110.383 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.65 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . . . -142.85 139.79 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 3.56 109.277 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.471 HG23 HD13 ' A' ' 13' ' ' ILE . 2.2 mt -103.26 137.52 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 2.3 109.316 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.8 t -137.71 100.13 4.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 1.77 108.333 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.839 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -42.73 143.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 4.32 109.274 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 1.1 m -79.78 102.17 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.55 108.26 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CE1' ' CG2' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -89.52 20.86 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 4.76 110.991 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.589 ' CG2' ' CE1' ' A' ' 29' ' ' TYR . 1.7 t -131.45 -145.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 3.67 109.302 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -61.07 108.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 4.94 109.324 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 31' ' ' LYS . 15.0 ttpt -35.88 150.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 3.67 109.334 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.832 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -58.63 140.65 85.07 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.35 108.3 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.97 -19.81 17.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 1.18 111.01 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER 166.0 134.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 5.44 110.306 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.571 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -37.24 131.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 4.36 109.328 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.14 -23.78 24.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.54 110.955 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.832 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -45.62 122.97 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.46 109.307 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 2.8 tmmm? -67.18 148.75 51.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 2.25 109.309 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.47 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 1.3 t -159.48 161.49 35.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 2.19 108.332 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -127.35 134.58 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 3.05 110.311 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 1.2 t80 -100.43 127.55 46.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 1.12 111.015 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.61 ' OD1' ' CE2' ' A' ' 50' ' ' TYR . 8.5 m-20 -82.95 136.57 34.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 3.23 109.306 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.05 -15.21 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.66 110.008 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -60.68 -22.67 64.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 7.72 110.992 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.776 ' HD2' ' HZ1' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -151.2 -46.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 4.69 109.262 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.565 ' HA2' ' CZ ' ' A' ' 42' ' ' PHE . . . 126.94 0.53 7.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.47 1.107 . . . . 1.9 111.016 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.776 ' HZ1' ' HD2' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -42.5 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 3.7 109.266 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -125.01 85.48 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 2.14 108.347 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.61 ' CE2' ' OD1' ' A' ' 43' ' ' ASP . 3.6 m-85 -67.73 64.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 1.87 111.007 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 2.25 108.243 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.276 -0.639 . . . . 1.09 109.276 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.512 HG22 ' HB3' ' A' ' 41' ' ' GLU . 1.6 m -51.56 142.4 14.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.07 110.405 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CB ' ' CD1' ' A' ' 16' ' ' TYR . 30.3 m-85 -111.93 114.54 27.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 1.85 110.979 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.739 HD22 ' N ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -89.54 146.32 24.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 2.44 109.313 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -168.97 -116.64 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.73 110.971 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -148.93 163.82 36.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 1.99 109.316 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.624 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 12.2 p -134.25 158.59 43.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 1.09 108.279 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.511 ' O ' ' N ' ' A' ' 12' ' ' ASN . 8.3 m-85 -124.99 131.21 53.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 1.68 110.991 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -71.0 -51.28 26.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 2.55 109.297 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 9.7 ttpt -51.3 -54.18 28.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 3.38 109.365 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.433 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 4.1 m-20 -81.01 -11.53 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 2.06 109.317 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.521 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.7 t-20 40.85 68.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 2.4 109.261 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.871 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.4 pp -152.02 170.87 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.05 109.3 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -122.3 116.37 23.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 1.35 108.3 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -100.95 155.54 17.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 3.01 109.344 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.757 ' CZ ' ' HB3' ' A' ' 24' ' ' ALA . 47.8 p90 -172.13 166.09 6.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 1.59 111.06 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -76.3 124.04 26.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 3.04 109.321 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 150.41 25.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 1.73 109.278 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -44.1 -37.45 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 4.8 110.3 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.56 -51.16 30.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 2.86 110.023 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 22' ' ' LYS . . . 154.47 -21.33 0.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 3.8 110.98 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -60.99 -125.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 6.65 109.297 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 m -157.62 138.63 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 6.71 110.403 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.757 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . . . -134.46 129.44 35.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 3.22 109.316 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.64 146.97 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 1.84 109.267 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' CD1' ' A' ' 42' ' ' PHE . 49.6 t -128.32 102.04 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.96 108.275 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.871 ' HA ' HG22 ' A' ' 13' ' ' ILE . 21.4 mmmt -39.9 142.85 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 4.81 109.251 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 13' ' ' ILE . 36.8 m -96.03 104.19 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.39 108.322 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.851 ' O ' HG13 ' A' ' 30' ' ' VAL . 2.8 p90 -107.6 35.62 3.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 3.96 110.982 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.851 HG13 ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER 175.28 146.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 2.93 109.348 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' VAL . 2.0 tmtt? 36.5 72.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 6.02 109.27 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -37.53 148.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 2.93 109.314 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -47.48 143.98 5.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 1.27 108.308 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.0 Cg_endo -75.02 -41.49 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.73 110.937 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -174.46 139.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 5.16 110.311 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.64 133.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 2.67 109.286 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.34 -23.95 31.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.76 110.961 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.624 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -45.68 119.62 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.6 109.318 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -61.61 148.93 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 2.31 109.297 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 6.2 t -163.31 162.27 25.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 2.22 108.276 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HB3' HG22 ' A' ' 2' ' ' THR . 3.8 mp0 -124.98 143.7 50.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 2.73 110.29 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.63 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 17.3 t80 -107.22 100.4 9.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.55 110.981 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.602 ' OD2' ' CE2' ' A' ' 45' ' ' TYR . 5.1 t70 -62.63 121.19 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 2.88 109.296 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 p -88.08 8.06 28.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 1.41 109.988 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.641 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -98.42 -16.74 19.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 5.74 111.034 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.15 -47.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 4.23 109.267 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.485 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 98.94 21.73 15.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 1.61 110.992 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' CD ' ' OH ' ' A' ' 29' ' ' TYR . 9.7 mtmt -62.69 -110.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 5.78 109.267 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER 163.78 80.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 2.65 108.267 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -65.33 70.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.97 111.008 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' CYS . 3.1 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 3.38 108.299 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.429 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.28 -0.637 . . . . 0.87 109.28 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.698 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -89.77 126.87 35.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.9 110.418 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 2.0 m-30 -96.37 116.2 28.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.8 110.991 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.63 162.01 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 2.08 109.298 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . 177.2 -139.28 4.3 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.43 111.033 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' LYS . 48.1 mttm -136.72 155.11 50.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 2.9 109.33 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 40' ' ' CYS . 1.3 p -127.2 159.21 35.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.05 108.292 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.59 ' CD1' HD11 ' A' ' 13' ' ' ILE . 7.0 m-85 -122.51 138.37 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.53 110.977 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.1 ptmt -82.27 -46.03 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 2.17 109.292 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -59.7 -22.3 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 3.06 109.268 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.548 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.9 m-20 -115.97 -8.8 11.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 2.53 109.31 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 8' ' ' TYR . 9.6 t-20 38.26 64.76 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 2.26 109.362 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.867 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -139.21 -178.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 1.01 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -133.65 103.51 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 1.86 108.296 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -94.79 140.39 29.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 3.08 109.334 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.738 ' CE1' ' CG2' ' A' ' 23' ' ' THR . 0.0 OUTLIER -164.12 -169.34 1.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 2.79 110.993 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.9 mttt -122.13 94.01 4.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 3.25 109.337 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.73 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -36.37 153.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 1.79 109.279 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.543 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -57.77 -21.42 41.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 4.35 110.312 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.26 -6.98 12.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 2.57 110.002 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.32 11.85 82.86 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.451 1.094 . . . . 2.49 110.991 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -81.99 -57.65 3.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 5.31 109.298 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.738 ' CG2' ' CE1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -59.35 178.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 5.32 110.369 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 167.27 124.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 2.91 109.273 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.561 HG23 ' HG3' ' A' ' 15' ' ' LYS . 0.8 OUTLIER 61.8 129.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.97 109.304 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 t -147.14 105.21 3.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 1.37 108.323 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.867 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -36.06 139.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 5.32 109.337 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 m -90.6 117.33 29.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.36 108.28 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.542 ' CD1' HG13 ' A' ' 30' ' ' VAL . 8.4 p90 -103.66 9.27 37.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 4.28 111.0 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.651 HG23 ' N ' ' A' ' 31' ' ' LYS . 8.1 m -125.79 -143.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 4.2 109.272 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.651 ' N ' HG23 ' A' ' 30' ' ' VAL . 2.4 mtpt -48.39 96.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 3.69 109.318 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.2 ttpt -37.41 153.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 2.9 109.293 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 8' ' ' TYR . 8.5 t -64.94 140.5 98.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 1.35 108.269 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.05 -36.37 2.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.63 110.948 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 2.6 ptp180 -178.18 152.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 5.61 110.263 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.427 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -48.87 129.0 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 2.34 109.294 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.52 -26.61 23.55 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.528 1.143 . . . . 0.46 110.957 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.484 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.31 122.01 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.42 109.287 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 4.2 tmtt? -63.94 150.15 45.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 2.46 109.288 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.427 ' HG ' ' N ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -156.18 177.84 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 2.43 108.304 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.2 pm0 -153.43 146.89 24.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 3.11 110.283 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -113.58 110.63 20.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.38 110.984 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.698 ' HA ' HG23 ' A' ' 2' ' ' THR . 12.0 t0 -77.12 128.76 35.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 2.86 109.269 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 p -92.3 -8.16 45.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.22 110.037 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.561 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -58.52 -17.55 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 7.04 111.005 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.497 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 17.9 mtpt -142.21 -61.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 3.7 109.331 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.79 42.93 0.25 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.519 1.137 . . . . 1.86 110.963 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -121.67 148.34 44.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 6.31 109.296 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -86.23 105.32 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 1.94 108.268 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -81.1 67.49 7.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.5 111.061 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 2.12 108.282 -179.934 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.596 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 1.18 109.328 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.459 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -63.61 150.5 43.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.78 110.408 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 56.0 m-85 -120.21 123.71 43.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 1.63 110.996 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.616 HD22 ' N ' ' A' ' 4' ' ' ASN . 1.1 m-80 -84.66 144.98 28.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 2.25 109.292 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -168.37 -137.98 2.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.47 111.023 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 29.3 mttp -145.83 159.29 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 3.02 109.313 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.6 p -122.76 166.37 15.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 1.08 108.305 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.573 ' CE1' ' HD2' ' A' ' 15' ' ' LYS . 6.3 m-85 -127.42 136.75 52.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 1.74 110.968 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 35' ' ' ARG . 7.6 ptmt -85.16 -48.83 8.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 3.03 109.284 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -54.37 -28.33 42.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 3.46 109.319 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' CG1' ' A' ' 13' ' ' ILE . 15.7 m-20 -110.09 -15.09 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 2.13 109.293 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.472 ' OD1' ' CG ' ' A' ' 32' ' ' LYS . 3.4 t30 49.52 60.53 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 3.14 109.302 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.901 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.6 pp -144.72 166.28 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.78 109.336 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.524 ' HG ' ' HG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -122.46 118.11 27.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 1.19 108.285 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.683 ' HG2' HG23 ' A' ' 25' ' ' ILE . 5.3 mtpm? -104.47 139.19 39.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 4.15 109.3 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.808 ' CE1' ' CD2' ' A' ' 42' ' ' PHE . 47.5 p90 -152.84 161.3 42.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.61 110.975 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 9.2 mtpp -75.77 135.83 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 3.28 109.301 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -94.59 41.21 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 3.02 109.329 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 4.3 tm0? 67.98 -58.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 5.22 110.284 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -65.84 -13.72 60.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 2.84 109.976 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 23' ' ' THR . . . 97.13 -17.24 59.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 2.83 111.039 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 23' ' ' THR . 3.8 mmtm -40.52 -29.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 7.69 109.271 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 23' ' ' THR . 0.8 OUTLIER 47.06 101.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 6.13 110.372 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.72 176.72 5.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 2.8 109.3 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.683 HG23 ' HG2' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -110.71 156.78 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 2.85 109.286 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.99 101.85 3.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.8 108.29 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.901 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -39.9 145.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 3.44 109.308 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.498 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 88.5 m -89.47 85.62 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.53 108.343 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.657 ' O ' HG13 ' A' ' 30' ' ' VAL . 29.2 p90 -107.04 46.2 0.94 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 5.34 110.985 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.915 HG11 ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -165.38 -66.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 3.97 109.28 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' H ' HG23 ' A' ' 30' ' ' VAL . 2.1 mptm? -115.53 105.98 13.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 4.19 109.311 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 12.0 ttpt -50.94 152.46 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 3.69 109.266 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 46.7 t -80.55 134.34 54.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 1.2 108.299 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.492 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -35.15 3.3 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.79 111.029 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.474 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 5.0 ptm180 172.79 144.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 5.31 110.293 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.559 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 2.5 m-20 -43.69 136.69 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 3.96 109.308 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.05 -17.3 59.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.77 111.005 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.592 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -55.08 118.18 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.65 109.31 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 9.5 tttt -62.08 148.85 42.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 3.47 109.267 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.524 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 1.8 t -160.78 160.73 31.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 2.26 108.265 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -121.23 118.91 30.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 2.77 110.283 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.808 ' CD2' ' CE1' ' A' ' 16' ' ' TYR . 9.0 t80 -84.75 107.34 16.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 1.06 110.992 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.619 ' CG ' ' CD1' ' A' ' 45' ' ' TYR . 4.4 t0 -68.31 132.03 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 2.43 109.343 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.572 ' HG ' ' HE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -93.02 -13.28 28.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 2.02 109.993 -179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.619 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -65.21 -9.34 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 7.53 110.988 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HE2' ' CZ ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -159.32 -44.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 3.82 109.328 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 110.87 21.17 6.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 1.4 111.0 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.915 ' CE ' HG11 ' A' ' 30' ' ' VAL . 1.3 tttt -66.36 -167.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 5.11 109.245 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -140.59 90.45 2.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 2.75 108.283 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -76.72 60.9 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 1.59 110.988 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.498 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.9 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 1.8 108.272 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.546 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.341 -0.614 . . . . 1.08 109.341 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 141.24 48.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 1.01 110.38 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.546 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 10.7 m-85 -109.17 117.73 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 1.71 110.975 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -87.12 149.92 24.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 2.22 109.295 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -178.16 -134.04 2.0 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.57 110.991 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 16.0 mttp -141.84 161.75 37.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 2.49 109.289 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.488 ' C ' ' HG ' ' A' ' 33' ' ' CYS . 3.8 p -132.47 155.53 48.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.97 108.286 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 12' ' ' ASN . 15.5 m-30 -114.62 135.22 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 2.57 110.989 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.7 ptmt -81.56 -46.27 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 2.1 109.319 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -56.96 -29.96 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 4.18 109.308 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 13' ' ' ILE . 9.5 m-20 -107.52 -11.72 15.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 2.5 109.281 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 8' ' ' TYR . 2.8 t-20 46.2 59.43 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 2.29 109.283 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.948 HG22 ' HA ' ' A' ' 27' ' ' LYS . 2.8 pp -144.63 161.14 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 1.02 109.311 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.52 132.27 55.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.28 108.289 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.81 173.44 9.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 5.02 109.279 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.482 ' CE1' ' HB3' ' A' ' 24' ' ' ALA . 21.1 p90 176.46 -169.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 1.35 110.974 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.47 120.82 41.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 5.46 109.319 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.53 172.58 9.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.85 109.281 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -55.59 -39.38 70.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 3.91 110.297 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -44.95 74.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 3.18 109.999 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.87 -11.26 7.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 4.11 110.993 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -73.28 -114.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 8.02 109.29 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 16' ' ' TYR . 12.1 m -161.23 150.96 16.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 6.86 110.423 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.482 ' HB3' ' CE1' ' A' ' 16' ' ' TYR . . . -144.3 130.8 19.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 3.15 109.244 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.3 mt -105.65 147.78 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 1.62 109.297 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -142.74 108.75 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.63 108.291 179.97 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.948 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -38.1 144.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 4.92 109.32 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.426 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 14.3 m -97.61 126.12 42.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.37 108.354 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.608 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -82.65 -143.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 6.86 110.984 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.608 ' N ' ' CG ' ' A' ' 29' ' ' TYR . 77.2 t -31.98 -85.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 4.18 109.253 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.3 93.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 4.37 109.28 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' VAL . 14.7 ttpt -74.5 162.72 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 2.97 109.321 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.488 ' HG ' ' C ' ' A' ' 7' ' ' CYS . 2.4 t -74.3 141.86 77.76 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 1.25 108.319 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.5 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -37.87 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.519 1.799 . . . . 0.89 110.974 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -178.56 147.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 4.43 110.305 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -44.85 127.98 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 2.67 109.312 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.67 -18.25 53.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.95 111.011 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.5 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -49.57 119.36 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.77 109.309 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 15.4 ttmt -63.93 147.95 50.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 3.58 109.314 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.428 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 8.7 p -162.59 167.31 23.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 1.94 108.239 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -133.21 123.79 26.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 2.92 110.307 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE1' ' HA2' ' A' ' 47' ' ' GLY . 9.4 t80 -88.89 115.99 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 1.02 110.967 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.49 ' HB3' ' CD2' ' A' ' 45' ' ' TYR . 1.6 m-20 -74.52 117.54 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 3.01 109.334 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.471 ' HG ' ' HE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -78.91 2.0 21.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 3.2 109.973 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.49 ' CD2' ' HB3' ' A' ' 43' ' ' ASP . 3.4 m-85 -75.12 -45.94 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 5.19 110.995 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.52 -43.03 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 3.5 109.292 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 115.61 18.65 6.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 1.59 110.979 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -71.73 174.24 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 4.35 109.289 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.5 OUTLIER -122.16 121.04 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 3.54 108.293 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -108.07 77.49 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.83 110.994 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.89 108.318 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.92 109.312 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.545 HG22 ' HB2' ' A' ' 41' ' ' GLU . 1.2 m -71.53 141.84 50.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.77 110.394 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.45 ' CE1' ' O ' ' A' ' 1' ' ' ALA . 67.4 m-85 -111.25 117.6 33.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.49 111.001 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.479 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -79.83 141.83 35.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 2.1 109.357 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -167.95 -155.87 9.71 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.8 110.985 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 12.3 mttt -128.39 166.92 17.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 1.97 109.292 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -132.62 172.39 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.99 108.294 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.52 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 7.8 m-85 -137.78 135.92 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.59 110.99 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -58.46 -71.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 3.11 109.348 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' LYS . 2.6 ttmm -39.35 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.23 109.317 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.589 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -52.5 -21.4 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 2.42 109.285 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.52 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 10.3 t-20 40.35 63.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 2.23 109.359 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.979 HD13 HG23 ' A' ' 25' ' ' ILE . 2.8 pp -141.49 -174.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.95 109.286 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' CYS . 2.6 t -135.76 107.72 7.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.24 108.288 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.457 ' HG3' ' CD1' ' A' ' 13' ' ' ILE . 48.2 mttt -89.2 130.13 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 3.26 109.293 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.758 ' CE2' ' CD2' ' A' ' 42' ' ' PHE . 4.9 p90 -149.62 162.91 39.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.46 111.017 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -70.36 153.35 43.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 2.85 109.318 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -113.08 40.43 2.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 3.21 109.286 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.418 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER 67.98 -58.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 5.49 110.262 179.94 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -74.56 -2.94 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 3.37 109.967 -179.976 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 23' ' ' THR . . . 89.83 -11.21 71.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 2.92 110.987 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 23' ' ' THR . 1.7 mmmp? -41.62 -28.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.746 . . . . 5.13 109.283 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 23' ' ' THR . 0.8 OUTLIER 44.89 99.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 6.42 110.376 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.62 -178.56 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 2.48 109.279 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.979 HG23 HD13 ' A' ' 13' ' ' ILE . 5.1 mt -108.33 148.01 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 2.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -133.5 102.56 5.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.99 108.304 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.921 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -39.74 146.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 5.68 109.301 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 7.6 m -80.05 -177.74 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 1.76 108.268 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.881 ' CD2' HG23 ' A' ' 30' ' ' VAL . 18.6 t80 179.37 155.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 4.57 111.003 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.881 HG23 ' CD2' ' A' ' 29' ' ' TYR . 17.4 t 66.13 -74.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 3.51 109.315 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' TYR . 7.1 mmtt -114.54 90.25 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 5.02 109.324 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -42.71 163.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 3.75 109.269 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 8' ' ' TYR . 39.3 t -58.43 136.34 85.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 1.26 108.346 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.96 -34.27 4.0 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.67 111.02 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 176.06 144.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 4.39 110.276 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.28 134.33 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.42 1.075 . . . . 2.43 109.26 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 94.98 -26.8 17.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.54 111.011 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.479 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -39.99 121.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.44 109.324 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 20.1 ttpt -69.21 147.74 50.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 2.3 109.298 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 17.0 t -159.95 162.0 34.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 2.38 108.27 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.545 ' HB2' HG22 ' A' ' 2' ' ' THR . 0.4 OUTLIER -128.61 131.67 48.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 2.87 110.294 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.758 ' CD2' ' CE2' ' A' ' 16' ' ' TYR . 51.8 t80 -93.87 105.71 17.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.93 111.031 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.464 ' HA ' HG23 ' A' ' 2' ' ' THR . 0.8 OUTLIER -67.09 119.38 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 4.03 109.296 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.59 2.61 24.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.35 109.977 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 43' ' ' ASP . 2.3 m-85 -74.64 -37.71 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 5.17 110.998 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -129.59 -50.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 3.04 109.296 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.523 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 118.53 35.21 1.01 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 1.13 111.002 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -94.42 -172.21 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 3.35 109.279 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.88 104.29 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 2.89 108.319 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -84.25 46.7 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 2.44 111.028 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.5 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 1.98 108.282 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.674 ' HB3' ' HE1' ' A' ' 45' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.264 -0.643 . . . . 1.56 109.264 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.701 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -72.66 122.16 20.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.99 110.375 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 18' ' ' ALA . 6.5 m-85 -88.17 118.0 27.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 1.66 111.013 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.661 HD22 ' N ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER -88.7 160.49 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 2.29 109.281 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.98 -135.89 2.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.45 111.005 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 73.6 mttt -152.58 148.43 27.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 1.89 109.305 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.495 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 13.0 t -123.46 154.71 38.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 3.25 108.324 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.837 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.6 m-30 -117.42 123.89 47.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 2.2 110.998 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.457 ' N ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -46.36 -60.86 2.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 2.57 109.299 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -45.11 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 3.66 109.299 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.687 ' O ' HG23 ' A' ' 13' ' ' ILE . 27.2 m-20 -62.77 -13.2 30.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 2.65 109.321 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.837 ' N ' ' O ' ' A' ' 8' ' ' TYR . 46.7 t30 31.93 61.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 2.99 109.292 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.936 ' O ' HD12 ' A' ' 13' ' ' ILE . 1.8 pp -138.92 145.16 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.17 109.315 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 0.5 OUTLIER -82.2 94.04 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.72 108.321 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' HG2' ' CG1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -88.77 108.05 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 4.31 109.322 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.522 ' OH ' ' CD1' ' A' ' 42' ' ' PHE . 55.4 p90 -153.45 -179.61 7.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.19 111.049 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.664 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 1.2 mmpt? -77.0 -128.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 3.28 109.319 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . 164.45 43.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 2.69 109.333 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 12.2 tt0 67.32 -59.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 3.66 110.299 -179.93 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -102.74 12.94 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 2.35 109.958 -179.951 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.61 10.72 38.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 2.64 110.982 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -58.67 -77.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 6.09 109.33 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.624 HG23 ' N ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -52.94 177.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 5.56 110.406 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 23' ' ' THR . . . 171.45 115.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 2.71 109.302 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.718 HG23 HD13 ' A' ' 13' ' ' ILE . 10.1 mt 72.18 138.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 1.61 109.266 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' LYS . 48.8 t -159.09 112.07 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 1.52 108.283 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.835 ' HA ' HG22 ' A' ' 13' ' ' ILE . 3.0 mtpt -37.06 141.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 4.58 109.315 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.09 89.84 8.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.58 108.292 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 5.3 p90 -59.64 130.85 48.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 5.2 111.005 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.631 HG12 ' N ' ' A' ' 31' ' ' LYS . 6.3 t 59.74 -84.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 4.53 109.268 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.631 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -42.96 164.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 4.51 109.313 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -139.2 150.06 45.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 2.7 109.332 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.872 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -79.07 140.72 57.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 1.6 108.288 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.491 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.01 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.98 110.997 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -167.51 142.68 3.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 3.84 110.265 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.74 139.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 2.81 109.297 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 95.96 -25.59 24.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.55 111.043 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.872 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -38.64 115.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.44 109.279 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.83 148.86 37.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 2.3 109.309 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.48 157.77 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 2.48 108.291 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.402 ' HB2' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER -130.59 150.67 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 4.79 110.288 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.522 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 64.6 t80 -117.48 107.73 14.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.91 110.993 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.701 ' HA ' HG23 ' A' ' 2' ' ' THR . 3.4 t70 -68.85 122.86 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 2.86 109.307 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -91.98 17.33 9.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 1.45 110.01 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.674 ' HE1' ' HB3' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -107.0 -17.28 14.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 6.44 111.002 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -123.24 -56.66 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 4.46 109.326 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.91 28.71 2.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.446 1.091 . . . . 1.57 111.03 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.0 mtmm -109.7 171.06 7.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 3.46 109.312 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.64 99.09 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 2.36 108.329 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -73.98 82.89 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 1.35 110.98 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.97 108.301 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.285 -0.635 . . . . 1.3 109.285 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.84 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -98.67 124.23 43.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.98 110.348 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.607 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -93.06 124.72 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.73 111.007 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.731 HD22 ' N ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -89.66 164.41 14.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 2.15 109.297 179.966 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.83 -141.15 5.49 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.45 111.03 179.937 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 18.3 mttt -142.23 159.98 41.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 1.83 109.258 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -132.15 153.98 49.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 1.12 108.279 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.521 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 18.2 m-30 -114.49 153.6 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 2.07 110.999 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -93.48 -48.04 6.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 2.47 109.304 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -55.51 -26.13 41.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 3.42 109.234 -179.956 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.757 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -113.91 -12.57 12.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 2.25 109.296 -179.964 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 34.5 t30 42.81 60.41 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 2.52 109.285 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.983 HD13 HG23 ' A' ' 25' ' ' ILE . 2.7 pp -135.85 -179.4 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.83 109.299 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 6.9 t -134.65 104.62 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.31 108.272 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 8' ' ' TYR . 10.6 ptmt -97.4 128.47 44.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 3.69 109.298 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.752 ' CE2' HG21 ' A' ' 23' ' ' THR . 1.4 p90 -156.59 174.64 15.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.09 110.992 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.05 99.73 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 4.01 109.282 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.811 ' HB2' ' CG2' ' A' ' 23' ' ' THR . . . -47.11 165.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 1.83 109.355 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.557 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -58.44 -35.45 72.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 3.68 110.313 -179.999 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.36 0.52 15.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 2.61 109.993 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.62 2.07 74.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.135 . . . . 2.9 110.978 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -38.65 91.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 5.79 109.327 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.811 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -79.88 -174.53 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 5.3 110.427 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.725 ' N ' HG23 ' A' ' 23' ' ' THR . . . 162.25 117.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 2.69 109.309 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.983 HG23 HD13 ' A' ' 13' ' ' ILE . 2.7 mt 61.11 138.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 2.02 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' LYS . 27.4 t -156.08 112.45 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.45 108.287 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.718 ' HA ' HG22 ' A' ' 13' ' ' ILE . 27.7 mttt -33.14 139.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 3.6 109.284 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -67.08 -165.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.95 108.281 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -126.23 -159.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 4.11 110.98 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.587 HG23 ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -39.45 -75.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 4.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.587 ' H ' HG23 ' A' ' 30' ' ' VAL . 15.8 mttt -62.03 91.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 3.7 109.263 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 14.7 mtmt -48.62 173.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 3.59 109.299 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -74.78 143.26 78.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.38 108.29 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.467 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.2 Cg_endo -75.02 -44.03 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.89 110.997 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.9 OUTLIER -170.18 137.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 5.27 110.303 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.517 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -37.94 131.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 2.43 109.296 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 107.17 -26.83 17.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.72 111.005 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.549 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -38.3 120.32 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.63 109.346 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 151.05 47.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 3.39 109.335 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 1.3 p -155.25 174.41 15.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 2.24 108.298 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 1.2 pm0 -146.61 133.9 20.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 2.93 110.335 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.434 ' CD2' ' OH ' ' A' ' 16' ' ' TYR . 55.3 t80 -94.93 107.54 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.09 110.981 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.84 ' HA ' HG23 ' A' ' 2' ' ' THR . 4.2 t0 -78.32 136.44 37.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 3.05 109.347 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 p -98.5 -10.34 23.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 1.37 109.958 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.6 ' CD1' ' CG ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -65.86 -10.92 42.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 6.59 111.025 179.983 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 22.0 mttt -149.41 -55.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 3.33 109.334 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.87 34.05 1.44 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 1.31 111.043 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.443 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -86.94 -157.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 3.68 109.291 -179.948 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.766 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -152.91 85.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.99 108.284 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -67.6 82.84 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 1.36 111.027 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.1 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 2.01 108.284 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.778 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -82.28 138.8 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.92 110.398 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 9.8 m-85 -110.61 117.38 33.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 1.68 111.0 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.431 HD22 ' N ' ' A' ' 4' ' ' ASN . 2.1 m-80 -88.94 157.43 18.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 2.51 109.309 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -179.78 -129.14 1.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.51 110.976 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 13.5 mttt -142.57 168.64 19.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 0.788 . . . . 2.33 109.316 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.6 p -140.84 155.01 46.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 1.03 108.299 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.741 ' HD2' HD11 ' A' ' 13' ' ' ILE . 38.0 m-85 -117.39 125.95 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 2.04 111.017 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -65.18 -48.64 72.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 2.58 109.349 179.949 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 2.9 tttm -51.99 -60.0 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 3.36 109.308 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.943 ' O ' HG23 ' A' ' 13' ' ' ILE . 1.7 m-20 -78.97 -3.85 47.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 2.62 109.322 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.592 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 6.0 t-20 36.83 58.96 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 2.25 109.319 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.943 HG23 ' O ' ' A' ' 11' ' ' ASP . 2.6 pp -136.79 179.29 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.75 109.35 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.84 114.22 14.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.28 108.272 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.621 ' HD2' ' CE2' ' A' ' 8' ' ' TYR . 6.7 ptmm? -95.54 124.03 39.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 4.67 109.306 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.604 ' CD2' ' O ' ' A' ' 17' ' ' LYS . 18.2 p90 -150.52 173.26 14.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.26 110.978 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.604 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 4.6 mttt -72.23 163.26 28.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 3.38 109.309 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.727 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . . . -112.46 37.04 3.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 3.62 109.277 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.409 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER 67.18 -59.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 5.21 110.294 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -45.66 -32.97 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 2.83 109.976 179.963 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.34 -11.31 9.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 4.06 111.032 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -73.81 -113.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 8.03 109.277 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.5 m -158.26 165.74 34.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 7.01 110.441 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.727 ' HB2' ' HB2' ' A' ' 18' ' ' ALA . . . -166.79 126.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 2.84 109.314 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.776 ' CG2' HD13 ' A' ' 13' ' ' ILE . 2.0 mt -104.23 136.89 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.63 109.305 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' LYS . 26.3 p -132.66 109.23 9.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 2.74 108.338 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.845 ' HA ' HG22 ' A' ' 13' ' ' ILE . 23.8 mtmt -39.11 154.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 3.43 109.276 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.062 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 1.7 m -95.65 151.38 19.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.16 108.289 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -86.64 -166.29 1.52 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 4.14 110.986 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -36.47 -54.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 4.9 109.311 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.35 79.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 4.58 109.331 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' VAL . 18.6 ttpt -54.52 155.19 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 3.29 109.342 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 8' ' ' TYR . 1.7 m -66.56 150.04 97.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 2.87 108.298 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.05 -46.19 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.8 110.954 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.478 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.7 ptt85 -172.95 138.07 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 3.82 110.277 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.478 ' C ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -33.35 135.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 2.26 109.343 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.35 -25.29 25.12 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.67 111.01 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -40.67 121.62 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 0.738 . . . . 0.52 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 16.4 ttpt -66.83 146.35 54.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 2.47 109.306 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 1.3 p -153.49 179.37 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 2.21 108.288 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.0 pm0 -147.8 139.86 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 3.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CD1' ' CD2' ' A' ' 3' ' ' TYR . 33.4 t80 -103.57 108.24 19.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 1.16 111.002 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.778 ' HA ' HG23 ' A' ' 2' ' ' THR . 4.4 t0 -74.71 132.45 41.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 2.8 109.298 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 p -95.44 -1.03 51.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 1.34 109.992 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -72.09 -13.67 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 7.35 111.027 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 21.4 mttt -147.9 -62.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 3.34 109.293 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.59 41.21 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 1.45 110.999 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -161.48 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 4.46 109.348 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' CYS . 12.5 t -140.56 90.3 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 2.25 108.29 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.07 59.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.21 110.992 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 1.062 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 4.4 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 2.23 108.296 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 0.89 109.3 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.644 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -80.69 145.56 31.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 110.413 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.54 ' CE1' ' HB2' ' A' ' 19' ' ' GLN . 10.9 m-85 -117.99 116.31 26.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 1.61 110.995 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.411 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -86.01 155.94 20.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.97 109.325 179.952 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -173.04 -136.89 2.26 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.51 111.016 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 32.6 mttt -144.55 158.98 43.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.787 . . . . 2.07 109.283 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.5 p -131.94 171.87 13.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.04 108.329 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.555 ' HD2' HD11 ' A' ' 13' ' ' ILE . 77.9 m-85 -139.05 134.85 33.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 2.18 110.976 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.4 mttt -56.58 -72.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 3.74 109.294 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -38.4 -77.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 4.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.795 ' O ' HG23 ' A' ' 13' ' ' ILE . 54.6 m-20 -51.34 -22.18 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 2.38 109.316 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.545 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 8.4 t-20 41.27 61.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 2.26 109.305 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.856 HD13 HG23 ' A' ' 25' ' ' ILE . 2.0 pp -138.9 177.95 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.83 109.285 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.317 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 24.3 t -129.84 99.72 5.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 1.16 108.249 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 25' ' ' ILE . 0.4 OUTLIER -93.52 137.27 32.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 3.05 109.291 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.655 ' CE2' HG21 ' A' ' 23' ' ' THR . 3.0 p90 -165.51 -176.58 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 1.06 110.984 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.404 ' NZ ' ' HA3' ' A' ' 21' ' ' GLY . 1.8 tmtt? -108.59 111.14 22.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 4.13 109.322 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.744 ' HB2' ' CG2' ' A' ' 23' ' ' THR . . . -61.96 166.17 4.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 1.81 109.259 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 2.4 tm0? -56.09 -36.46 68.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 4.14 110.346 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.49 2.28 15.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 2.62 109.984 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.404 ' HA3' ' NZ ' ' A' ' 17' ' ' LYS . . . 76.19 -0.75 62.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 2.9 111.019 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -39.79 82.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 0.781 . . . . 5.95 109.286 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.744 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -80.26 -177.96 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 5.32 110.363 -179.944 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 163.16 114.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 2.68 109.297 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.856 HG23 HD13 ' A' ' 13' ' ' ILE . 4.3 mt 61.19 139.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.96 109.315 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 27' ' ' LYS . 35.2 t -157.62 115.31 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 1.71 108.296 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.745 ' HA ' HG22 ' A' ' 13' ' ' ILE . 5.6 mtpt -35.74 136.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 4.54 109.294 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.41 ' SG ' ' C ' ' A' ' 13' ' ' ILE . 58.5 m -89.34 131.22 35.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.42 108.306 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.51 ' CZ ' ' HG2' ' A' ' 48' ' ' LYS . 2.9 p90 -114.33 133.55 55.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 4.42 110.993 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.597 HG12 ' N ' ' A' ' 31' ' ' LYS . 3.2 t 64.09 -78.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 3.85 109.293 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.597 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -68.79 65.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 4.57 109.299 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -50.06 164.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 3.36 109.29 -179.978 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.494 ' SG ' ' CA ' ' A' ' 8' ' ' TYR . 36.2 t -69.7 135.86 88.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.27 108.298 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.581 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -35.12 3.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 1.01 111.007 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.517 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 10.2 ptt180 179.32 145.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 4.73 110.276 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.486 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -40.73 135.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 2.94 109.273 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 88.62 -23.84 14.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.6 111.004 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.581 ' HB1' ' HG2' ' A' ' 34' ' ' PRO . . . -39.29 121.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.776 . . . . 0.44 109.318 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -70.27 147.82 49.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 2.24 109.323 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 1.219 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 40.1 t -153.66 161.98 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 2.24 108.313 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -131.49 135.3 46.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 2.71 110.278 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -98.86 110.95 23.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.96 110.979 -179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.644 ' HA ' HG23 ' A' ' 2' ' ' THR . 2.3 t0 -77.0 134.03 38.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 2.9 109.297 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.5 p -95.4 -11.72 27.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.2 109.972 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -63.85 -10.81 22.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 6.86 110.977 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 11.1 mttt -147.4 -56.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 3.26 109.279 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.78 42.39 0.8 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 1.31 111.011 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -104.63 -161.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 3.23 109.271 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -139.24 94.83 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 2.1 108.302 179.947 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 10.9 m-85 -77.57 52.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.2 110.978 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 1.317 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 82.4 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 2.9 108.315 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' O ' ' CE1' ' A' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.265 -0.643 . . . . 0.89 109.265 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.71 HG23 ' HA ' ' A' ' 43' ' ' ASP . 1.3 m -82.99 146.88 28.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.79 110.416 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 1.8 m-30 -106.51 177.41 4.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.64 110.997 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.77 151.09 44.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 2.34 109.274 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.28 -143.33 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 0.41 110.99 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' LYS . 48.0 mttt -143.88 146.25 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 1.98 109.33 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.9 p -117.23 153.27 33.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 1.13 108.304 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 12' ' ' ASN . 8.1 m-30 -113.83 139.11 49.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 2.18 110.986 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -78.35 -47.32 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 2.54 109.306 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -52.84 -39.98 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 2.97 109.322 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.672 ' O ' HG23 ' A' ' 13' ' ' ILE . 87.6 m-20 -101.91 -5.54 24.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 2.24 109.336 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 8' ' ' TYR . 22.2 t30 38.96 51.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 2.58 109.308 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.01 HD13 HG23 ' A' ' 25' ' ' ILE . 2.8 pp -135.36 154.38 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.89 109.315 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 9.0 t -102.2 108.64 20.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.29 108.308 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -94.69 129.85 41.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 3.82 109.326 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.716 ' CE2' HG21 ' A' ' 23' ' ' THR . 2.1 p90 -164.96 158.49 17.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 1.13 110.995 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.747 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 24.4 mmtt -56.59 -103.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 4.02 109.325 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . 156.81 159.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 1.87 109.258 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 8.3 tt0 -53.6 -19.2 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 4.9 110.323 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.48 17.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 2.35 110.024 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.52 24.38 61.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 2.48 110.976 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -90.18 -43.76 10.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 5.49 109.288 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.719 HG23 ' N ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -68.37 -176.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 5.12 110.346 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.719 ' N ' HG23 ' A' ' 23' ' ' THR . . . 169.65 121.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 2.97 109.291 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.01 HG23 HD13 ' A' ' 13' ' ' ILE . 8.7 mt 61.21 142.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 1.75 109.282 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' CYS . 35.4 t -157.04 103.97 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 1.33 108.279 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.823 ' HA ' HG22 ' A' ' 13' ' ' ILE . 19.4 ttpt -36.36 151.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 4.01 109.307 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.17 100.54 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.31 108.289 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.556 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -92.56 12.39 23.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 3.92 111.022 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.689 HG21 ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -114.87 -104.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 4.44 109.311 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.495 ' H ' HG23 ' A' ' 30' ' ' VAL . 1.9 ttmt -106.98 124.58 49.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 3.53 109.263 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.499 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 11.5 ttpt -39.6 148.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 4.19 109.312 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' N ' ' HG2' ' A' ' 32' ' ' LYS . 3.5 m -70.16 148.09 95.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 2.98 108.308 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.518 ' HG2' ' HB2' ' A' ' 38' ' ' ALA . 18.0 Cg_endo -75.07 -50.4 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.769 . . . . 0.67 111.02 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.9 ptt180 -169.25 142.28 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 3.63 110.267 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.468 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.35 125.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 2.78 109.323 179.935 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.81 -24.1 20.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.51 110.975 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.518 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . . . -42.61 117.35 1.01 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 0.732 . . . . 0.44 109.285 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 4.4 tttt -58.98 149.25 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 2.89 109.253 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.425 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 25.1 t -159.38 161.97 35.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 2.17 108.331 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 1.3 pm0 -138.51 137.81 37.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 2.88 110.307 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CD1' ' CE2' ' A' ' 3' ' ' TYR . 22.1 t80 -97.78 118.62 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.08 111.023 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.71 ' HA ' HG23 ' A' ' 2' ' ' THR . 1.1 m-20 -84.63 135.28 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 2.82 109.305 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.0 p -96.02 11.33 34.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 1.32 110.012 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -84.8 -34.67 22.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 5.51 110.997 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HE3' ' HZ2' ' A' ' 48' ' ' LYS . 14.0 mtmt -131.87 -45.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 3.19 109.283 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.86 19.04 5.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.99 110.974 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HZ2' ' HE3' ' A' ' 46' ' ' LYS . 39.3 mttt -68.78 -167.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 4.5 109.303 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.689 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -144.39 89.54 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 2.13 108.322 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 36.4 m-85 -66.69 68.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.5 111.004 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 49' ' ' CYS . 6.9 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.81 108.353 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.287 -0.635 . . . . 1.36 109.287 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.915 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -97.02 121.74 39.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.94 110.439 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 21.1 m-85 -83.7 122.43 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 1.71 110.999 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.478 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -84.5 160.01 20.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 2.25 109.307 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.97 -154.78 14.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.74 111.004 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 31.2 mttt -138.49 156.96 47.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 2.22 109.274 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -127.98 151.87 48.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 1.14 108.324 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.568 ' CE2' ' HE3' ' A' ' 15' ' ' LYS . 17.2 m-30 -115.19 146.07 41.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 2.12 110.974 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.477 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -83.99 -45.84 12.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 2.16 109.327 179.968 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 1.6 tttt -58.27 -25.37 61.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 4.24 109.307 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.822 ' O ' HG23 ' A' ' 13' ' ' ILE . 6.2 m-20 -113.71 -11.21 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 2.38 109.317 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.522 ' OD1' ' CG ' ' A' ' 32' ' ' LYS . 4.9 t30 39.39 56.03 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 2.94 109.285 -180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.005 HD13 HG23 ' A' ' 25' ' ' ILE . 2.9 pp -133.6 172.89 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.8 109.265 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -125.33 104.09 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 1.94 108.304 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.568 ' HE3' ' CE2' ' A' ' 8' ' ' TYR . 9.3 ptpt -97.23 136.25 38.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 3.02 109.304 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.67 ' CZ ' HG21 ' A' ' 23' ' ' THR . 3.7 p90 -171.23 172.25 5.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.12 110.964 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 3' ' ' TYR . 9.7 mmmt -96.61 134.32 40.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 3.46 109.264 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.677 ' HB2' ' CB ' ' A' ' 23' ' ' THR . . . -90.83 37.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 2.74 109.327 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 3.9 tp-100 67.1 -59.62 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 5.41 110.306 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -90.19 6.28 43.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 2.42 110.029 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.31 0.22 61.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 3.16 110.958 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -52.09 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 7.54 109.322 -179.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.677 ' CB ' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -50.38 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 5.73 110.36 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 164.86 120.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 2.63 109.281 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.005 HG23 HD13 ' A' ' 13' ' ' ILE . 2.1 mt 61.49 135.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.81 109.296 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.512 ' O ' ' C ' ' A' ' 27' ' ' LYS . 10.6 t -155.75 111.17 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 1.51 108.275 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.696 ' HA ' HG22 ' A' ' 13' ' ' ILE . 13.9 mttt -31.49 143.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 4.09 109.302 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 49.8 m -78.29 84.25 4.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.57 108.316 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.729 ' C ' HG13 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -59.12 117.6 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 6.18 111.024 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.729 HG13 ' C ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER 68.62 146.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 3.77 109.336 -179.959 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.21 -177.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 4.84 109.267 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.522 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 17.9 ttmt -138.99 146.5 40.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 3.72 109.289 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.564 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -62.79 143.61 96.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 1.39 108.317 179.981 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.3 Cg_endo -75.0 -45.86 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 0.93 110.989 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER -168.6 139.05 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 4.52 110.282 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.479 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -39.23 125.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 2.61 109.305 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 113.13 -24.63 12.37 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.48 1.113 . . . . 0.76 110.964 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.564 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -38.36 121.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.735 . . . . 0.69 109.312 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 152.68 25.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 3.33 109.28 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 49' ' ' CYS . 5.5 p -155.55 174.93 14.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 2.32 108.271 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -156.53 132.71 9.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 2.82 110.316 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.651 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . 56.3 t80 -100.44 94.81 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.93 111.029 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.915 ' HA ' HG23 ' A' ' 2' ' ' THR . 3.6 m-20 -56.91 116.35 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 2.86 109.279 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.3 p -74.83 -1.32 21.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.53 109.96 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.493 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -79.7 -22.34 43.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 6.1 111.04 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -140.07 -47.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 3.49 109.323 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.563 ' HA2' ' CZ ' ' A' ' 42' ' ' PHE . . . 108.37 50.54 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.113 . . . . 1.23 111.01 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.584 ' CD ' ' CE2' ' A' ' 29' ' ' TYR . 13.7 mmtp -83.52 -105.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 3.44 109.323 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 29' ' ' TYR . 1.8 p 158.15 -25.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 3.77 108.298 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.473 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 64.5 m-85 37.5 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 1.83 110.965 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 2.18 108.313 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.318 -0.623 . . . . 1.08 109.318 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.594 HG23 ' HA ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -85.47 138.37 32.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.95 110.368 -179.933 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 7.7 m-30 -88.28 -176.64 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 2.03 110.996 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -148.49 140.82 24.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 2.24 109.311 180.0 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -169.92 -142.21 3.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.13 . . . . 0.42 110.963 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' LYS . 21.1 mttm -135.8 159.27 42.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 1.93 109.343 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.439 ' CB ' ' HG ' ' A' ' 51' ' ' CYS . 2.1 p -132.35 152.05 51.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 1.0 108.333 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 12' ' ' ASN . 18.6 m-30 -115.19 139.09 50.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 1.86 110.991 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -80.21 -47.76 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 2.4 109.289 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.31 -29.05 63.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 4.04 109.32 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.796 ' O ' HG23 ' A' ' 13' ' ' ILE . 5.2 m-20 -107.96 -10.57 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 2.05 109.347 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.551 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 11.9 t-20 42.36 54.84 4.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 2.42 109.351 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.071 HD13 HG23 ' A' ' 25' ' ' ILE . 2.7 pp -137.21 169.36 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.66 109.345 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 1.8 t -126.19 103.81 7.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.27 108.24 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HD2' ' CZ ' ' A' ' 8' ' ' TYR . 3.0 ptmt -96.06 129.24 43.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 3.26 109.28 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.688 ' CE2' HG21 ' A' ' 23' ' ' THR . 1.1 p90 -154.39 179.54 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.17 111.014 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.18 99.39 8.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 3.04 109.286 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.82 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -48.3 164.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 1.84 109.307 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 2.7 tp-100 -57.16 -32.68 66.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 5.23 110.305 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.89 1.42 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 2.72 109.99 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.01 0.28 64.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 3.01 110.987 179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -40.46 91.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 5.78 109.292 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.82 HG22 ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -79.88 -175.83 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 5.4 110.409 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.701 ' N ' HG23 ' A' ' 23' ' ' THR . . . 163.72 114.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 2.59 109.299 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.071 HG23 HD13 ' A' ' 13' ' ' ILE . 4.4 mt 60.59 136.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 1.71 109.324 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 27' ' ' LYS . 2.0 t -153.34 104.45 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.38 108.319 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.775 ' HA ' HG22 ' A' ' 13' ' ' ILE . 4.6 mtpt -36.63 138.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 5.34 109.276 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -86.87 124.23 32.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 2.16 108.344 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.689 ' CD1' HG23 ' A' ' 30' ' ' VAL . 1.4 p90 -112.67 13.41 19.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 4.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.689 HG23 ' CD1' ' A' ' 29' ' ' TYR . 79.6 t -119.23 -104.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 3.56 109.304 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.641 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -94.06 98.65 11.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 3.44 109.27 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -36.64 149.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 3.65 109.3 179.947 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 9' ' ' LYS . 2.1 t -60.77 139.54 93.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 1.36 108.324 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.523 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.96 -46.63 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.533 1.807 . . . . 0.72 111.017 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.1 ptt180 -164.31 136.86 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 3.73 110.264 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -36.12 130.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 2.38 109.303 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.25 -26.22 24.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.51 110.989 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.523 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . . . -40.36 124.47 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 0.43 109.339 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -68.83 150.29 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 2.82 109.235 -179.941 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.431 ' SG ' ' C ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -149.77 -177.17 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 2.3 108.273 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 40' ' ' CYS . 1.1 pm0 -153.87 122.59 6.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 2.91 110.313 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.588 ' CE2' ' HA2' ' A' ' 47' ' ' GLY . 1.8 t80 -91.61 118.48 30.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 1.35 111.019 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.602 ' CG ' ' CE1' ' A' ' 50' ' ' TYR . 1.3 m-20 -76.01 125.67 29.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 2.55 109.313 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.78 1.46 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 2.79 109.956 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.66 -40.83 9.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 5.46 110.991 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -117.15 -40.38 3.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 4.28 109.283 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.588 ' HA2' ' CE2' ' A' ' 42' ' ' PHE . . . 83.8 62.78 1.73 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 1.49 111.003 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 29' ' ' TYR . 2.9 mmtt -101.07 -88.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 4.18 109.305 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 1.8 p 157.35 -22.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 3.87 108.332 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.602 ' CE1' ' CG ' ' A' ' 43' ' ' ASP . 40.9 m-85 37.66 76.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 1.73 110.99 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.439 ' HG ' ' CB ' ' A' ' 7' ' ' CYS . 76.4 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 2.12 108.334 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.28 -0.637 . . . . 1.04 109.28 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.453 HG22 ' HB3' ' A' ' 41' ' ' GLU . 3.2 m -56.64 130.45 45.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.69 110.439 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -93.31 117.56 30.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 1.63 111.021 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.32 155.18 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 2.5 109.306 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.35 -150.09 10.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.75 110.986 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -142.82 160.91 39.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 2.77 109.336 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.475 ' C ' ' SG ' ' A' ' 33' ' ' CYS . 25.3 t -128.71 156.38 43.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 3.34 108.314 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 8.6 m-30 -116.47 148.59 40.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 2.31 111.001 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 8.5 ptmt -85.31 -50.62 7.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 2.28 109.321 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 4.1 tttt -53.36 -31.98 47.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 3.23 109.276 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.5 ' CB ' HG13 ' A' ' 13' ' ' ILE . 13.7 m-20 -105.87 -16.74 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 2.57 109.333 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.561 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 7.0 t30 45.62 53.96 8.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 2.57 109.309 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.793 HD13 ' CD ' ' A' ' 15' ' ' LYS . 1.2 pp -144.8 145.98 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 1.23 109.3 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -93.86 112.5 24.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 1.6 108.267 -179.977 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.793 ' CD ' HD13 ' A' ' 13' ' ' ILE . 2.7 mptt -97.74 105.68 17.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 5.4 109.298 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 17' ' ' LYS . 11.4 p90 -134.53 -170.46 2.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.99 110.979 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 9.0 mmtt -80.53 154.58 27.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 2.89 109.294 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . . . -111.09 39.45 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 3.77 109.301 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 3.6 tp-100 67.23 -59.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 3.66 110.286 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -48.76 -30.16 5.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 3.24 109.973 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.474 ' O ' ' CE ' ' A' ' 17' ' ' LYS . . . 119.64 -13.74 10.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 3.82 110.946 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -71.02 -111.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 9.01 109.324 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 17.4 m -161.0 149.39 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 6.69 110.404 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 18' ' ' ALA . . . -134.71 138.01 44.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 3.41 109.283 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.52 HG23 ' HD2' ' A' ' 15' ' ' LYS . 4.9 mt -111.95 142.91 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 2.13 109.312 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' LYS . 21.6 p -149.75 106.97 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 2.58 108.276 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HA ' HG22 ' A' ' 13' ' ' ILE . 30.9 mttt -39.5 146.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 3.48 109.298 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.622 ' SG ' HG22 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -78.15 120.0 22.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.76 108.346 179.96 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.437 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 3.5 p90 -99.83 12.04 37.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 6.53 110.971 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.673 HG23 ' N ' ' A' ' 31' ' ' LYS . 12.7 m -98.25 -139.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 5.88 109.303 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.673 ' N ' HG23 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -95.63 47.14 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 8.04 109.288 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HG2' ' N ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER 58.64 144.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 4.78 109.287 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.555 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 1.3 t -60.38 141.83 91.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 1.4 108.298 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 18.2 Cg_endo -75.04 -33.54 4.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 0.97 110.943 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.16 151.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 3.77 110.342 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.54 128.32 28.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 2.47 109.31 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.79 -23.24 17.62 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.58 110.947 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.555 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -45.18 114.86 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.49 109.286 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 40' ' ' CYS . 17.4 tttt -61.91 150.61 37.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 2.84 109.325 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -164.8 160.57 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 2.3 108.288 -179.998 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 2.1 mt-10 -129.78 141.68 50.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 3.64 110.293 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CD2' ' CZ ' ' A' ' 16' ' ' TYR . 34.1 t80 -100.17 107.92 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.21 111.01 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.49 ' OD1' ' CE1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -69.23 106.38 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 2.89 109.301 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -76.39 0.42 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.22 109.986 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 1.4 m-85 -76.68 -34.97 58.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 5.8 111.013 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -127.2 -45.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 4.16 109.329 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.95 33.46 3.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 1.22 110.985 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 49' ' ' CYS . 31.7 mmtm -71.24 -117.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 3.75 109.278 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 158.87 85.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 1.9 108.298 -179.977 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.49 ' CE1' ' OD1' ' A' ' 43' ' ' ASP . 4.6 m-85 -67.91 59.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.56 110.972 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 3.6 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 2.54 108.295 -179.988 . . . . . . . . 1 1 . 1 stop_ save_