data_1two_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 1two _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.5 mm -55.21 -37.77 44.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.04 -5.05 28.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -109.57 106.07 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -118.68 139.62 51.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.494 ' O ' ' O ' ' A' ' 9' ' ' SER . 3.3 pp -70.26 -164.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.494 ' O ' ' O ' ' A' ' 8' ' ' LEU . 28.9 t -47.27 -103.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 109.953 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.6 ' O ' ' N ' ' A' ' 12' ' ' PHE . 7.4 m120 -125.55 -34.03 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -34.53 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.794 ' CE1' ' CE1' ' A' ' 34' ' ' TYR . 8.6 t80 -113.73 -64.34 1.32 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.17 -34.28 5.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 10' ' ' ASN . 2.6 ttpt -79.19 -53.82 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -56.3 -41.84 76.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.555 ' CE ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -64.97 -47.14 78.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 110.956 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -67.38 -38.08 84.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.5 mt-30 -71.08 -41.15 71.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.457 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 60.1 m -62.01 -35.87 79.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.38 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 24' ' ' SER . 4.1 ttpt -67.77 -7.03 24.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.22 -68.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -48.58 -42.65 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.252 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 1.1 mt -98.75 -11.05 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.189 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.543 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.19 18.1 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.612 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -84.9 167.61 25.43 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.612 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.6 Cg_endo -74.97 119.83 5.82 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 111.051 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.447 ' O ' HG11 ' A' ' 30' ' ' VAL . 30.5 p-10 -68.43 -0.83 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 26' ' ' PRO . 29.2 p -82.49 -41.4 19.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.485 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 14.7 m -64.77 -36.6 78.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.447 HG11 ' O ' ' A' ' 27' ' ' ASP . 12.3 p -77.28 -31.73 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.378 1.049 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -69.55 -15.07 63.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.568 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 62.3 t0 -78.3 -30.8 48.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' N ' ' HE1' ' A' ' 37' ' ' TRP . 11.1 mt -52.17 -38.17 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.794 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -73.05 -21.36 60.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.536 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 1.1 t-20 -67.98 -73.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER 159.88 29.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -94.57 26.1 3.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 108.051 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.584 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -45.37 -46.18 12.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.539 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 3.0 t0 -48.63 -32.83 8.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.61 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 8.5 t70 -83.36 89.8 7.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.588 ' CE2' ' HD2' ' A' ' 120' ' ' LYS . 1.5 m-85 -90.66 -175.53 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.434 ' C ' ' N ' ' A' ' 44' ' ' THR . 6.0 m -40.6 -29.68 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.429 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -41.62 -25.3 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.547 1.154 . . . . 0.0 111.068 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.434 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -113.16 -54.7 2.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -135.51 99.22 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.387 1.054 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.483 ' HD2' ' CD1' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -62.44 -33.0 73.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.515 ' CD2' ' H ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -49.38 -44.42 44.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.55 64.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.23 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.42 ' C ' HG13 ' A' ' 112' ' ' ILE . . . -82.39 -30.64 33.03 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.536 1.148 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.25 -45.08 20.49 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -57.4 -47.76 80.86 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -60.03 -39.8 81.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.582 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -60.99 -43.83 98.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -67.9 -20.46 65.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 108.245 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 12' ' ' PHE . 1.3 tp -52.94 -37.64 61.18 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.601 1.188 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.646 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.36 -12.25 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.203 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -15.13 -59.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -111.79 103.81 12.09 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 56' ' ' ALA . 7.9 mt -71.05 -18.78 62.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -32.29 73.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 58' ' ' LYS . 18.9 m -89.26 -39.22 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.466 ' CG2' ' OD1' ' A' ' 11' ' ' ASN . 0.9 OUTLIER -68.76 -41.41 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.446 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -134.73 106.17 10.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -111.07 4.14 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.446 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.48 45.99 2.05 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.14 . . . . 0.0 111.066 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -52.35 -37.33 55.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 0.735 . . . . 0.0 109.283 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.738 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.38 -174.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' HIS . 45.4 m-70 -147.07 116.57 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 14.8 t-80 -39.99 140.0 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.35 -45.14 3.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -127.18 79.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.725 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.15 130.28 42.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.49 171.0 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.389 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.495 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 12.5 m-20 -70.76 0.23 7.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -87.87 -45.98 9.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -63.59 -59.0 5.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.495 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -77.77 41.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 3.8 tptt -153.52 -53.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.43 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -68.77 -5.83 23.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.626 1.204 . . . . 0.0 109.62 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -160.45 39.6 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.484 ' CB ' ' SD ' ' A' ' 86' ' ' MET . . . -131.03 146.87 52.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 0.721 . . . . 0.0 109.372 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.77 138.56 33.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -42.87 -33.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -77.58 -44.28 28.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 110.359 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.486 ' HA ' ' HB2' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -55.48 -24.09 29.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.426 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -54.36 -60.08 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.586 ' HA ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -86.56 -41.63 14.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.486 ' HB2' ' HA ' ' A' ' 86' ' ' MET . 1.6 mt-30 -42.64 -60.85 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.583 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 7.4 mp -47.07 -40.77 15.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.586 HG21 ' HA ' ' A' ' 88' ' ' GLN . 2.8 t -56.78 -15.39 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.373 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 89' ' ' GLN . 2.3 m-20 -76.93 -69.29 0.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.583 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -63.23 -46.72 95.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.511 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -53.03 -26.93 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 2.1 m170 -75.86 -30.5 58.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.634 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' C ' ' HG2' ' A' ' 99' ' ' LYS . . . -88.65 -24.66 32.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -89.23 -62.76 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -45.64 -33.64 3.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 95' ' ' HIS . 2.3 pttt -73.3 -31.4 64.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.64 -8.4 34.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.038 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.48 80.31 12.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.09 171.59 18.02 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 44.67 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 102' ' ' PRO . 1.3 t-20 -61.4 149.79 37.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 107' ' ' LYS . 12.4 m-20 -53.45 -26.81 21.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -83.61 29.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 105' ' ' ASP . 14.5 pttt -39.87 -30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.445 ' N ' ' C ' ' A' ' 106' ' ' ASP . 7.0 t -51.97 -48.27 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' ASP . 22.8 ttt -102.17 -5.95 23.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -90.43 -79.4 0.35 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.2 m -45.15 -43.95 10.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 116' ' ' MET . 0.1 OUTLIER -47.08 -45.92 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -40.8 -42.0 1.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.393 1.058 . . . . 0.0 109.285 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -80.92 -49.36 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.45 -22.18 1.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.47 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 16.1 ptt? -103.3 -31.17 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 116' ' ' MET . 1.8 t -50.8 -53.95 27.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 108.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.572 ' CE1' HD23 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -65.52 -32.64 74.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.093 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -57.64 -30.38 65.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.588 ' HD2' ' CE2' ' A' ' 41' ' ' TYR . 27.0 mtmt -63.95 -32.28 73.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 52.2 mm-40 -59.36 -27.68 66.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.233 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.4 mm -80.73 -40.2 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.539 ' CD2' ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -48.15 -21.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -103.66 30.85 4.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.577 ' O ' ' O ' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -42.93 -102.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.507 ' N ' HD11 ' A' ' 125' ' ' LEU . 39.7 m-80 -102.54 -30.12 11.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.513 ' CD1' HD12 ' A' ' 125' ' ' LEU . 1.9 p-90 -108.7 135.94 49.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 107.982 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' A' ' 128' ' ' VAL . 10.3 p -124.77 90.07 51.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 50.31 2.5 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -40.54 -35.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.27 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.6 mtp -134.94 100.76 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -126.08 125.0 41.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -44.97 116.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 99.4 t -111.58 -53.77 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.381 1.05 . . . . 0.0 109.223 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.492 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.39 -15.87 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.342 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.0 33.11 19.09 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -105.72 172.61 6.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 17.8 m -65.45 100.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.72 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -102.72 163.5 12.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.41 86.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.3 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.541 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 5.3 mm -54.02 -52.83 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -0.42 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -112.62 105.11 13.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 4.2 p-10 -119.51 140.3 50.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 1.2 tt -60.21 178.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.9 m -49.38 -87.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.586 1.179 . . . . 0.0 109.981 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 12' ' ' PHE . 6.9 m120 -118.16 -38.14 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -35.78 -34.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' ASN . 15.2 m-85 -114.04 -69.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.4 -33.76 0.94 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.426 1.078 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 6.3 ttpt -80.29 -53.75 6.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.384 0.697 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -59.93 -44.71 94.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.525 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 26.6 mmt -62.59 -39.13 92.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.427 1.08 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -72.85 -44.63 61.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.421 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 14.3 mt-30 -67.92 -40.52 83.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.505 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 67.5 m -61.02 -38.26 85.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 108.318 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -67.65 -5.1 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.365 1.041 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.87 -68.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.505 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -45.33 -45.58 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.582 1.176 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.424 HD22 ' SG ' ' A' ' 50' ' ' CYS . 1.8 mt -98.35 -11.37 22.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.581 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 51.77 17.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.945 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.613 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -82.74 166.6 35.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.613 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.1 Cg_endo -75.05 120.07 5.9 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.416 1.745 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.461 ' O ' HG11 ' A' ' 30' ' ' VAL . 26.6 p-10 -66.01 -2.17 3.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.202 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 26' ' ' PRO . 33.8 p -81.61 -40.19 23.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.185 . . . . 0.0 110.022 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 35.4 m -64.28 -36.39 76.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.466 ' N ' HG21 ' A' ' 29' ' ' VAL . 9.9 p -76.57 -32.13 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -68.15 -18.56 64.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -65.46 -35.88 82.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.464 ' CD1' ' CZ3' ' A' ' 37' ' ' TRP . 3.6 tp -50.51 -48.96 56.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.541 ' CD1' ' HB3' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -51.02 -29.23 12.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -85.33 -67.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.546 ' CZ ' HD22 ' A' ' 125' ' ' LEU . 0.1 OUTLIER 169.45 53.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.648 ' CE3' ' C ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.18 9.66 27.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.046 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -46.54 -54.19 9.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.206 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.34 -35.5 67.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 52.2 t0 -71.31 84.52 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.606 ' CZ ' ' CG2' ' A' ' 42' ' ' VAL . 28.3 t80 -81.86 163.31 22.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.606 ' CG2' ' CZ ' ' A' ' 41' ' ' TYR . 29.4 m -38.71 -30.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -40.04 -26.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -113.85 -50.04 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.85 93.46 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -66.86 -40.55 87.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.541 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -46.02 -42.97 13.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.93 -32.81 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.196 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.486 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -75.35 -32.29 55.61 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.407 1.067 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.424 ' SG ' HD22 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -81.03 -40.42 24.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.437 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . . . -61.06 -48.6 80.99 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.593 1.183 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -61.41 -40.22 85.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' HG21 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -61.05 -42.44 98.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.548 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.1 OUTLIER -67.72 -21.05 65.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 108.299 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.476 ' HA ' ' CB ' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -52.72 -37.88 59.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.654 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.63 -11.58 60.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.405 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.654 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -12.94 -61.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 110.417 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.557 ' N ' ' O ' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -111.74 95.66 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.645 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 6.4 mt -60.79 -17.04 47.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -67.82 -22.25 65.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.241 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' A' ' 58' ' ' LYS . 1.5 m -82.51 -41.68 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.431 1.082 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.645 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.18 -45.54 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -123.31 109.74 31.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.591 1.182 . . . . 0.0 109.339 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.89 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -111.32 -0.88 16.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 105.36 46.05 1.27 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.406 ' ND2' ' C ' ' A' ' 67' ' ' ASN . 1.3 t30 -53.32 -36.02 60.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.325 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.727 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.48 -173.81 1.77 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.426 ' N ' HD21 ' A' ' 68' ' ' LEU . 40.5 m-70 -144.73 117.94 8.95 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.095 . . . . 0.0 109.537 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.504 ' CG ' ' HB1' ' A' ' 56' ' ' ALA . 16.6 t60 -42.01 140.09 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.522 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.54 -45.61 3.12 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -124.43 77.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 109.316 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.0 130.81 44.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -60.88 172.2 1.02 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.325 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.49 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.5 OUTLIER -69.8 -1.89 10.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -88.54 -46.0 9.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 79' ' ' LYS . . . -65.33 -58.33 6.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.51 ' O ' ' CE ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -76.55 41.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.608 1.192 . . . . 0.0 111.011 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.486 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 7.8 tmtt? -149.59 -53.34 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.155 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -5.69 27.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.87 39.93 0.5 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.089 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.05 131.02 45.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.18 139.16 54.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.48 -33.32 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 1.2 t -75.95 -44.71 38.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.526 ' HE2' ' CZ ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -56.35 -24.01 41.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 110.941 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.423 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -53.93 -61.13 2.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.563 ' HA ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -88.63 -40.6 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.9 mt-30 -42.29 -61.43 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.261 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.581 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 9.8 mp -47.19 -42.22 19.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.412 1.07 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.568 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 3.2 t -54.95 -16.31 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 1.5 m-20 -76.63 -69.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.581 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.61 -47.08 90.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.499 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.53 -25.68 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.6 m170 -75.96 -30.52 58.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.423 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -87.14 -23.97 39.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -90.16 -60.77 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.9 OUTLIER -45.65 -35.42 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.64 1.212 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -71.39 -30.81 66.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.45 -8.67 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 110.037 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.88 79.68 13.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.425 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -75.05 173.5 14.41 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.793 . . . . 0.0 110.988 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 42.83 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' A' ' 102' ' ' PRO . 3.4 t-20 -61.73 150.04 37.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.413 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.9 OUTLIER -54.68 -21.6 11.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' MET . 4.2 m-20 -83.61 28.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 105' ' ' ASP . 22.3 pttt -40.51 -29.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.457 ' N ' ' C ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -54.97 -50.63 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.334 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 4.1 ptt? -101.36 -4.31 27.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -90.14 -79.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 98.0 m -45.83 -44.34 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.486 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -46.72 -46.01 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 1.5 t70 -43.75 -43.52 6.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.495 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -77.96 -53.0 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.25 -20.94 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.546 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 5.6 mmm -102.97 -35.35 8.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 2.4 t -44.31 -54.77 5.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.364 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.575 ' CE1' HD23 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -65.14 -35.69 81.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -31.97 73.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -27.93 69.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 124' ' ' LYS . 6.9 mm-40 -57.38 -27.5 62.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.4 mm -80.14 -39.73 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.427 1.079 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.454 ' CD2' ' C ' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -49.0 -21.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -99.41 28.91 4.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.561 ' O ' ' O ' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -44.43 -103.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.512 ' N ' HD11 ' A' ' 125' ' ' LEU . 8.2 t30 -103.82 -29.82 10.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.371 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.51 ' CE2' HD23 ' A' ' 125' ' ' LEU . 25.6 p-90 -108.61 145.36 35.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 107.977 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 64.7 t -116.82 113.84 39.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 49.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -44.86 -35.23 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.62 109.42 21.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.579 1.174 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -128.95 125.1 36.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.559 ' O ' ' CD2' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.3 111.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.224 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 6.2 p -116.4 -7.91 12.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.467 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.62 -20.85 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 75.65 31.95 55.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -131.23 170.7 14.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 0.74 . . . . 0.0 110.338 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 16.0 m -65.77 114.33 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.398 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 175.18 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -90.82 164.79 13.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 85.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 9.9 mm-40 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.4 mm -57.75 -38.44 65.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.82 -9.1 27.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -110.1 106.72 16.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.4 p-10 -118.65 139.33 51.69 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.459 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 1.2 tt -63.53 -179.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.1 t -48.98 -92.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.494 ' O ' ' C ' ' A' ' 11' ' ' ASN . 4.2 m120 -119.19 -38.2 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.242 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -33.35 -37.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.579 ' CE2' ' OH ' ' A' ' 34' ' ' TYR . 23.6 m-85 -113.8 -64.94 1.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.411 1.069 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.99 -42.82 8.2 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 12.6 ttpt -72.46 -51.56 19.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 0.719 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -55.47 -42.37 74.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.605 1.191 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.495 ' HE3' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -67.22 -44.9 78.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.58 -37.65 85.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 16.8 mt-30 -71.88 -40.83 68.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.489 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 90.9 m -65.33 -35.01 79.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -67.37 -7.14 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.616 1.197 . . . . 0.0 109.308 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.8 -68.06 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.489 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 1.7 pt-20 -49.09 -42.98 40.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.504 ' CD1' ' HB3' ' A' ' 50' ' ' CYS . 35.0 mt -97.95 -10.84 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.534 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 49.85 17.79 0.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 0.0 110.057 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.605 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -85.17 167.65 24.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.605 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.99 120.45 6.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.456 ' O ' HG11 ' A' ' 30' ' ' VAL . 27.3 p-10 -68.34 -1.49 6.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 26' ' ' PRO . 13.2 p -82.57 -40.17 21.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.487 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 24.9 m -64.59 -36.8 78.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.468 ' N ' HG21 ' A' ' 29' ' ' VAL . 9.2 p -77.45 -32.37 18.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -69.44 -17.62 63.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -75.18 -19.82 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.238 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.604 ' HG ' ' CH2' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -59.39 -50.84 72.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.579 ' OH ' ' CE2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -55.58 -21.44 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 36' ' ' PHE . 1.2 m-20 -78.63 -72.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 35' ' ' ASN . 9.7 p90 172.87 46.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.622 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.24 13.67 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -43.66 -55.75 4.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.466 ' N ' ' HB2' ' A' ' 123' ' ' HIS . 0.6 OUTLIER -63.87 -32.25 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.513 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 43.1 t0 -70.14 59.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.598 ' CD1' ' CB ' ' A' ' 43' ' ' MET . 0.1 OUTLIER -63.25 172.65 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' THR . 14.5 t -41.4 -35.41 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.598 ' CB ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -38.74 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 111.032 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -109.49 -49.78 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.42 98.73 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.463 ' HA ' ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -66.07 -43.2 88.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.499 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -46.78 -43.47 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.12 -32.96 62.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.547 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -75.51 -32.05 55.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.504 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -81.93 -42.6 19.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.587 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . . . -55.96 -48.72 75.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.473 ' HA ' ' HB2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -65.27 -35.75 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.404 ' ND2' ' HB ' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -58.39 -51.25 70.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.587 ' SG ' ' HA ' ' A' ' 51' ' ' ALA . 1.6 p -68.2 -25.09 65.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.35 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.543 HD22 ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -51.24 -36.17 40.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.628 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -74.29 -12.22 60.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.628 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.92 -60.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -111.74 105.62 14.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 56' ' ' ALA . 3.6 mt -72.12 -21.95 61.4 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -35.06 77.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 58' ' ' LYS . 31.3 m -84.97 -38.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.476 ' N ' HG23 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -67.23 -45.44 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.445 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.5 OUTLIER -125.53 106.24 27.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -42.38 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.62 4.4 20.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.445 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.22 47.63 2.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -52.6 -37.65 58.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 0.716 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.73 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -174.05 -173.4 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -145.31 120.32 10.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.652 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -48.05 141.29 6.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.646 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 -45.9 3.21 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.606 1.191 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -128.91 81.02 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.776 . . . . 0.0 109.358 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.22 129.47 40.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.482 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -61.61 172.69 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.489 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 2.9 m-20 -72.54 7.98 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.482 ' H ' ' C ' ' A' ' 74' ' ' LYS . 5.7 m-85 -104.87 -28.99 10.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.441 ' O ' ' ND1' ' A' ' 80' ' ' HIS . . . -68.16 -76.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.354 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.669 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.39 43.12 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 75' ' ' ASP . 3.6 tppt? -143.56 -51.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -67.82 -6.5 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.564 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -145.22 23.24 1.9 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.521 ' CB ' ' HG3' ' A' ' 86' ' ' MET . . . -132.41 160.49 36.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 0.747 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -95.8 149.86 21.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.72 -30.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 83' ' ' ASP . 1.5 t -66.36 -41.77 89.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.349 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.581 ' N ' ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -45.24 -38.75 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 110.979 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.462 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -48.47 -49.28 36.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.401 ' HA ' HG21 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -94.17 -45.36 7.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 2.1 mt-30 -44.28 -56.73 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.625 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 9.0 mp -47.02 -49.34 21.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.577 HG12 ' CD2' ' A' ' 95' ' ' HIS . 2.5 t -54.69 -14.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 27.9 t0 -79.71 -71.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.625 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.37 -47.52 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.378 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.549 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -51.69 -24.63 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.399 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.577 ' CD2' HG12 ' A' ' 91' ' ' VAL . 0.9 OUTLIER -76.21 -30.38 57.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 109.639 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -87.49 -23.89 38.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.3 m -90.62 -61.19 1.73 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.6 tm-20 -45.59 -32.57 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.97 -30.72 61.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.357 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.25 -8.28 33.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.431 1.082 . . . . 0.0 110.052 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -116.88 80.85 11.47 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.426 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.11 172.37 16.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 43.57 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.426 ' H ' ' C ' ' A' ' 102' ' ' PRO . 3.3 t-20 -61.87 148.73 42.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -55.24 -23.16 21.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.3 OUTLIER -83.67 30.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 105' ' ' ASP . 17.7 mtmt -40.21 -30.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 106' ' ' ASP . 12.2 t -54.86 -48.94 72.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 108.267 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -101.16 -6.73 23.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.984 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -89.41 -79.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.9 m -43.66 -42.42 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.413 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.547 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -44.57 -46.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 116' ' ' MET . 0.8 OUTLIER -42.54 -42.4 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.493 HG21 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -81.66 -49.07 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.226 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.79 -22.03 1.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.467 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 13.1 ptt? -102.74 -29.25 11.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 116' ' ' MET . 2.3 t -53.95 -47.46 71.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.317 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -63.88 -46.19 86.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -30.69 71.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -29.28 62.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.413 ' OE1' ' CD1' ' A' ' 90' ' ' LEU . 35.7 mt-10 -59.09 -35.59 73.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 125' ' ' LEU . 2.0 mm -75.76 -37.29 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.581 ' CE1' ' HG3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -46.89 -19.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.679 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.482 ' N ' ' C ' ' A' ' 122' ' ' ILE . 22.2 mtpt -95.57 26.15 4.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.655 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -46.04 -95.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.452 ' H ' ' CD1' ' A' ' 125' ' ' LEU . 10.4 t30 -97.66 -20.1 17.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.198 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.573 ' CZ2' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -90.25 138.79 31.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 31.1 m -119.44 117.31 33.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.581 ' HG3' ' CE1' ' A' ' 123' ' ' HIS . 18.1 Cg_endo -75.06 50.24 2.49 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' PRO . 18.5 p-10 -40.26 -29.88 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.436 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -111.85 105.13 13.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.7 123.17 30.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.493 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -161.89 124.11 2.9 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.622 1.201 . . . . 0.0 109.298 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.2 t -115.18 -59.47 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.458 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.63 -14.75 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.41 24.02 52.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -105.79 174.17 6.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 14.3 m -65.8 100.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.68 -47.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -90.28 164.9 14.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.66 84.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 4.3 mm -57.37 -38.17 61.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -1.63 40.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -124.03 106.37 10.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.2 p-10 -118.81 139.56 51.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.47 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 0.4 OUTLIER -62.97 178.09 0.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.425 ' H ' ' CD1' ' A' ' 8' ' ' LEU . 46.7 m -48.07 -97.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 12' ' ' PHE . 77.9 m-20 -121.87 -39.05 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.639 ' H ' ' ND2' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -32.96 -37.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.44 1.088 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.573 ' CZ ' HD22 ' A' ' 55' ' ' LEU . 13.0 m-85 -115.11 -66.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.41 1.069 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.505 ' HA2' ' SD ' ' A' ' 16' ' ' MET . . . -43.67 -35.97 3.26 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -80.79 -41.51 23.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 0.73 . . . . 0.0 109.372 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 11' ' ' ASN . . . -57.28 -48.45 78.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.521 ' CE ' ' O ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.96 -37.17 69.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.21 -44.36 84.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' NE2' ' HD3' ' A' ' 14' ' ' LYS . 14.3 mt-30 -71.18 -33.56 70.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.529 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 0.8 OUTLIER -65.7 -35.59 81.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 108.189 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -64.99 -7.31 11.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.69 -68.55 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HG2' ' HA ' ' A' ' 19' ' ' CYS . 2.3 pt-20 -50.27 -44.44 53.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.435 ' C ' ' N ' ' A' ' 25' ' ' LEU . 58.7 mt -98.24 -9.94 24.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 49.09 18.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.617 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -81.81 168.71 22.27 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.617 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.5 Cg_endo -74.93 119.89 5.86 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.498 ' O ' HG11 ' A' ' 30' ' ' VAL . 52.9 p-10 -67.76 -1.15 4.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.224 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 26' ' ' PRO . 33.7 p -81.66 -39.16 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 34.7 m -61.69 -36.66 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.498 HG11 ' O ' ' A' ' 27' ' ' ASP . 12.0 p -77.6 -31.19 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.185 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.508 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.03 -17.56 64.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -78.97 -19.69 51.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.374 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.606 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -56.65 -52.53 64.55 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.45 1.094 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.66 -23.68 67.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -77.9 -76.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.177 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.592 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 40.8 p90 173.91 66.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.606 ' CZ2' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -90.5 8.42 33.99 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -58.37 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -68.34 -34.36 75.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 37' ' ' TRP . 11.3 t0 -77.31 94.03 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.558 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 53.3 t80 -102.04 173.74 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.558 ' N ' ' CG ' ' A' ' 41' ' ' TYR . 49.0 t -39.33 -29.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.544 1.153 . . . . 0.0 109.231 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' TYR . 2.2 tpp -38.48 -28.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -105.91 -57.11 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.405 ' OD2' HG12 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -138.8 106.06 5.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.48 ' HD2' ' CD1' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -59.56 -33.86 71.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.492 ' CD2' ' H ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -46.84 -43.98 19.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.6 ' O ' ' CH2' ' A' ' 37' ' ' TRP . . . -55.9 -33.0 64.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.569 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -81.48 -30.54 36.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.79 -43.03 26.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.04 -46.93 75.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.455 ' CG2' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -59.84 -42.16 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.442 ' N ' HG21 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -59.05 -43.51 91.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -67.87 -28.65 67.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.573 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -52.96 -34.97 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.32 -12.93 61.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.198 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.72 -58.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.485 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 8.9 mmtt -111.51 101.89 10.27 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -71.9 -19.6 61.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -34.84 79.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.497 ' HB ' ' CG ' ' A' ' 11' ' ' ASN . 27.2 m -84.18 -37.76 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.492 ' N ' HG23 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -69.79 -43.26 80.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.456 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 2.2 p-10 -131.34 106.12 14.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 109.226 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.579 1.831 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.59 3.89 19.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.33 44.15 2.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -50.64 -37.57 41.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 0.795 . . . . 0.0 109.249 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.739 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.43 -174.4 0.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 39.8 m170 -146.45 116.49 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.539 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -41.43 140.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.587 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.84 -45.5 3.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 111.065 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -127.57 81.18 2.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 0.75 . . . . 0.0 109.246 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.46 127.63 32.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.392 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' A' ' 76' ' ' PHE . 7.8 mttm -60.69 172.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.497 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 66.4 m-20 -70.41 1.68 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 109.23 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.424 ' H ' ' C ' ' A' ' 74' ' ' LYS . 18.9 m-85 -88.59 -45.64 9.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.44 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -64.29 -58.86 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.497 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -77.48 41.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 111.048 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.476 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 11.7 tttt -152.81 -51.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -68.29 -6.2 22.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 0.0 109.569 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -152.72 23.86 0.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.539 ' CB ' ' HG2' ' A' ' 86' ' ' MET . . . -131.43 134.46 46.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.562 ' O ' ' CG ' ' A' ' 86' ' ' MET . 7.6 m-20 -78.99 147.71 32.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -41.77 -31.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.412 ' OG1' ' HG3' ' A' ' 89' ' ' GLN . 1.3 t -64.27 -37.84 88.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.364 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.562 ' CG ' ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -52.64 -29.21 25.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.475 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -52.92 -51.7 60.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.4 ' O ' ' OD1' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -94.12 -45.47 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.241 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.5 mt-30 -44.75 -63.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.565 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 33.5 mt -48.57 -44.69 36.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.596 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.1 t -55.28 -20.07 6.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 7.3 m-20 -71.56 -69.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.32 -46.89 91.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.486 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -53.48 -25.99 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.596 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.5 m170 -76.15 -31.14 58.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.657 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.431 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.13 -23.59 37.37 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.5 -62.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -45.08 -35.66 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.483 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.1 OUTLIER -72.3 -30.61 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.97 -7.13 37.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.924 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.53 84.26 11.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.57 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -75.08 176.29 10.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.428 1.751 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.06 47.25 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -63.8 141.5 58.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 107' ' ' LYS . 7.3 m-20 -56.25 -18.49 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.4 OUTLIER -81.4 32.13 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.541 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 25.7 pttt -41.46 -25.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.4 1.062 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.49 ' N ' ' C ' ' A' ' 106' ' ' ASP . 25.5 t -60.09 -51.39 69.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -103.31 -4.73 23.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.57 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.5 -70.63 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.2 m -51.98 -43.21 63.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.569 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -47.6 -43.36 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.417 ' CG ' ' OH ' ' A' ' 41' ' ' TYR . 3.8 t0 -45.84 -54.03 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.388 1.055 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -71.72 -50.07 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.22 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.02 -20.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.479 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.52 -35.97 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.7 t -41.95 -50.06 4.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.522 1.139 . . . . 0.0 108.311 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.561 ' CD1' HD12 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.75 -46.13 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -59.93 -30.19 68.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.5 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.6 OUTLIER -61.47 -28.65 69.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 10.2 mm-40 -58.29 -28.64 65.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.238 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.6 mm -77.42 -37.56 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -47.12 -20.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.636 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.529 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -97.79 28.26 3.97 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.57 ' N ' ' O ' ' A' ' 122' ' ' ILE . 0.1 OUTLIER -45.5 -103.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.518 ' N ' HD11 ' A' ' 125' ' ' LEU . 38.6 m-80 -101.33 -30.54 11.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.532 ' CD1' HD12 ' A' ' 125' ' ' LEU . 8.8 p-90 -107.68 139.55 42.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.0 m -115.93 113.31 42.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 49.94 2.4 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.448 1.762 . . . . 0.0 110.987 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -40.98 -32.66 0.25 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.86 106.69 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.01 124.34 51.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.447 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.8 126.08 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.0 t -113.64 -51.95 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.434 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.469 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.09 -15.26 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.02 33.14 18.95 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.16 162.5 12.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 16.4 m -65.55 101.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.376 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 179.4 -46.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -96.89 164.93 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.46 86.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.387 1.054 . . . . 0.0 109.339 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 5.7 mp0 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 4.2 mm -58.93 -37.75 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -1.6 53.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.403 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 12.4 tttp -115.4 105.07 12.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.394 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.6 p-10 -131.1 139.63 49.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.442 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 1.0 OUTLIER -60.06 170.5 1.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.432 ' H ' ' CD1' ' A' ' 8' ' ' LEU . 59.7 m -46.85 -78.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.402 1.063 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' PHE . 18.2 m120 -121.23 -38.84 2.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.427 1.079 . . . . 0.0 109.359 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.454 ' ND2' ' CG2' ' A' ' 61' ' ' VAL . 6.5 t-20 -36.78 -33.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.561 ' CD1' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -115.64 -69.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.15 -34.03 1.41 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 1.6 tmmm? -81.19 -53.72 6.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.754 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 11' ' ' ASN . . . -57.75 -42.99 85.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.516 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 30.0 mmt -64.48 -42.67 95.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.33 -47.52 56.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 10.2 mt-30 -64.27 -40.13 95.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.469 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 8.1 m -59.71 -39.02 83.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 108.324 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -67.96 -5.32 16.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -112.03 -69.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -45.25 -44.38 11.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -98.74 -11.98 21.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.546 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 52.26 17.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.378 1.049 . . . . 0.0 110.065 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.613 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -83.96 167.3 28.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.613 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.6 Cg_endo -74.87 121.26 6.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' O ' HG11 ' A' ' 30' ' ' VAL . 45.8 t0 -68.2 -0.89 5.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 26' ' ' PRO . 26.9 p -81.47 -41.97 20.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.45 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 14.4 m -65.29 -36.45 77.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.433 HG11 ' O ' ' A' ' 27' ' ' ASP . 12.6 p -77.74 -32.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.479 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.47 -17.05 64.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.56 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 66.8 t0 -75.85 -32.39 59.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.49 ' N ' ' HE1' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -53.92 -28.05 34.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.361 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -73.44 -26.0 60.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.61 1.194 . . . . 0.0 110.992 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.577 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -70.3 -74.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CG ' ' C ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER 159.99 34.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.612 ' CZ3' ' CG ' ' A' ' 40' ' ' ASP . 1.2 p-90 -93.66 24.64 3.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 107.966 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 85.0 mttt -48.08 -40.82 24.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -49.47 -23.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.612 ' CG ' ' CZ3' ' A' ' 37' ' ' TRP . 10.3 t70 -89.02 93.27 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 120' ' ' LYS . 2.1 m-85 -87.83 175.64 7.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 46' ' ' ARG . 25.1 t -40.12 -29.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.235 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -40.45 -25.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.958 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -112.48 -59.14 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.404 ' CG ' HD21 ' A' ' 47' ' ' LEU . 10.9 t70 -132.78 106.17 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.483 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -71.28 -33.77 70.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.496 ' H ' ' CD2' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -47.75 -44.18 27.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.28 -32.2 66.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.462 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.29 -30.36 34.17 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.22 -43.83 23.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.486 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -59.44 -48.21 82.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -59.88 -40.12 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -42.7 99.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.517 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -65.71 -18.35 65.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 108.35 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.561 HD22 ' CD1' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -53.07 -34.92 58.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.24 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.637 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -74.9 -12.39 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.637 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -15.69 -58.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.438 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.643 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 10.1 mmtt -109.12 105.58 15.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.71 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 4.8 mt -72.27 -15.49 61.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -29.88 61.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.643 ' CG2' ' O ' ' A' ' 58' ' ' LYS . 24.5 m -76.08 -36.74 31.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.71 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -83.9 -46.38 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.375 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.474 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -125.8 110.08 25.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -41.12 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 3.19 20.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.59 44.42 2.31 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 0.1 OUTLIER -50.93 -36.56 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.723 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -170.1 -174.3 1.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.426 ' N ' HD21 ' A' ' 68' ' ' LEU . 56.6 m-70 -146.04 114.13 6.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.569 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.529 ' CG ' ' HB1' ' A' ' 56' ' ' ALA . 9.7 t60 -37.95 142.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.33 -45.76 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -125.29 75.03 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.05 130.43 43.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 171.64 1.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 109.242 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.485 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 2.2 m-20 -69.75 -2.25 11.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.282 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -88.79 -46.07 9.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.18 -58.51 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.485 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -78.12 41.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.939 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.481 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 15.4 tptt -153.53 -53.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.379 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -5.77 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -159.54 36.36 0.47 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.475 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.75 130.51 43.85 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.578 0.811 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -69.95 140.41 53.01 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.446 1.091 . . . . 0.0 109.373 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -44.78 -33.18 1.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.3 t -77.83 -44.18 28.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.435 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.583 ' HE3' ' CZ ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -56.63 -26.13 55.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -63.72 -49.07 74.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 89' ' ' GLN . 0.6 OUTLIER -86.21 -47.31 9.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.553 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 24.2 mm100 -42.8 -55.57 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.623 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 7.4 mp -46.48 -47.26 19.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.562 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.0 t -53.96 -15.44 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.483 1.115 . . . . 0.0 109.375 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -78.15 -71.03 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.623 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.13 -47.28 85.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.519 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.0 -24.02 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -75.65 -31.34 59.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.577 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.77 -23.69 35.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.572 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.7 OUTLIER -89.0 -63.88 1.23 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 4.7 tt0 -45.28 -33.1 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 12.2 pttt -73.99 -31.45 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.56 -8.82 34.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.5 79.95 12.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.97 173.2 14.91 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 43.2 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' A' ' 102' ' ' PRO . 6.2 t-20 -62.02 147.99 45.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 107' ' ' LYS . 10.7 p-10 -53.09 -26.15 15.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 109' ' ' MET . 17.4 m-20 -83.55 29.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 105' ' ' ASP . 2.7 pttt -40.2 -29.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 106' ' ' ASP . 7.7 t -51.82 -47.24 64.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 108.3 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 106' ' ' ASP . 12.0 ttt -101.77 -7.56 22.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -90.2 -79.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.7 m -43.26 -42.91 4.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 116' ' ' MET . 0.1 OUTLIER -45.91 -45.81 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.591 1.182 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 117' ' ' CYS . 4.4 t0 -42.44 -50.97 5.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.77 -58.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.02 -22.61 0.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 120' ' ' LYS . 38.0 ttp -101.34 -35.77 9.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.606 1.192 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 0.8 OUTLIER -47.73 -45.78 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.583 ' CZ ' ' HE3' ' A' ' 86' ' ' MET . 0.3 OUTLIER -63.86 -51.26 65.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -62.88 -30.32 71.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -61.39 -26.3 67.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.504 ' OE2' ' CD1' ' A' ' 90' ' ' LEU . 43.9 mt-10 -56.66 -36.62 69.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 110.362 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.598 ' O ' ' N ' ' A' ' 125' ' ' LEU . 2.2 mm -64.72 -36.21 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -46.28 -21.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 0.0 109.536 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.54 ' O ' ' O ' ' A' ' 125' ' ' LEU . 1.9 ptmt -97.88 28.84 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.598 ' N ' ' O ' ' A' ' 122' ' ' ILE . 0.1 OUTLIER -45.46 -102.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.511 ' N ' HD11 ' A' ' 125' ' ' LEU . 9.8 t30 -103.2 -30.04 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.588 ' CD1' HD12 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -107.37 136.46 47.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 107.994 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.1 m -121.42 89.41 47.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 49.47 2.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -47.78 -29.32 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.2 mtt -123.87 102.57 7.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.443 1.09 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -130.37 98.05 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.603 1.189 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.546 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -62.63 111.61 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 135' ' ' ILE . 26.1 m -116.22 -11.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.473 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.29 -20.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.258 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.63 32.4 27.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.31 169.49 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 12.9 m -75.65 103.38 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -175.18 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.472 ' CB ' ' N ' ' A' ' 133' ' ' LEU . . . -110.89 165.1 12.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -70.89 92.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.471 ' CG2' ' HG ' ' A' ' 133' ' ' LEU . 10.4 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.575 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 7.8 mm-40 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.2 mm -57.95 -39.0 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -2.69 24.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 111.061 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -125.63 106.45 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -119.0 139.06 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.547 ' CD1' ' HB3' ' A' ' 11' ' ' ASN . 2.2 pp -69.72 -166.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.476 ' O ' ' O ' ' A' ' 8' ' ' LEU . 25.1 m -47.78 -101.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' A' ' 12' ' ' PHE . 13.1 m-20 -124.22 -33.8 3.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.547 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -29.79 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.616 ' N ' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -110.57 -65.77 1.13 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.973 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.85 -38.82 4.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -73.87 -54.93 6.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 0.805 . . . . 0.0 109.352 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . . . -55.96 -35.77 67.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.505 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -69.85 -48.96 56.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -67.37 -38.74 85.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 16.1 mt-30 -71.13 -42.09 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.373 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 16.8 m -61.85 -37.76 85.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.604 1.19 . . . . 0.0 108.345 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.564 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -67.28 -5.62 14.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -112.28 -69.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -47.56 -43.68 25.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.17 . . . . 0.0 110.347 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.515 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 3.2 mt -98.83 -11.52 21.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.55 17.8 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.935 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.612 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -83.08 168.51 22.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.612 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.1 Cg_endo -75.04 119.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.392 1.733 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.43 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 48.0 p-10 -67.06 -1.57 4.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 26' ' ' PRO . 24.2 p -81.29 -42.26 20.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.517 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 12.2 m -65.32 -36.86 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.439 ' N ' HG21 ' A' ' 29' ' ' VAL . 11.9 p -77.68 -33.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 109.25 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -69.88 -18.18 63.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 51.2 t0 -74.75 -31.1 61.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.195 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.48 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -51.77 -38.68 56.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 3' ' ' GLU . 1.6 t80 -73.12 -21.49 60.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.547 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 1.6 t30 -69.74 -73.3 0.16 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 159.61 31.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.615 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -94.76 25.43 4.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 108.004 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 40' ' ' ASP . 2.9 mptt -47.02 -47.71 22.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.519 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 8.6 t70 -48.66 -24.58 1.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.615 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 10.4 t70 -83.13 90.29 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 55.6 t80 -88.56 174.41 8.09 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.559 ' N ' ' CG ' ' A' ' 41' ' ' TYR . 46.5 t -38.39 -30.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' TYR . 7.9 ptt? -42.42 -24.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.55 -57.95 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -129.61 117.34 20.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLY . 1.8 ttt180 -78.58 -39.93 36.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -46.66 -43.11 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.26 -32.58 56.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.38 1.05 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.509 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -79.48 -30.99 42.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.135 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.94 -46.05 17.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.515 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -54.73 -47.26 74.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.406 HG23 ' C ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -59.68 -38.82 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -47.0 87.3 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -64.24 -25.73 68.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 108.246 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.591 HD22 ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -53.19 -34.45 57.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.626 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.39 -12.54 61.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.626 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -17.58 -59.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.405 1.065 . . . . 0.0 110.424 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.527 ' CB ' HG12 ' A' ' 61' ' ' VAL . 11.5 mmtt -111.36 96.12 5.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.673 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -64.13 -15.63 60.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 0.0 109.23 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -69.89 -22.8 63.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.527 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.3 m -82.32 -41.1 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.673 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.59 -45.56 21.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 67' ' ' ASN . 4.6 p30 -122.71 103.43 37.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 -42.06 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.82 1.71 16.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.83 39.52 2.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.586 1.178 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.419 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 53.1 t30 -52.84 -37.86 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.749 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -166.37 -175.95 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 39.6 m170 -146.83 118.91 8.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.54 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.523 ' CG ' ' HB1' ' A' ' 56' ' ' ALA . 10.2 t60 -42.32 140.91 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.539 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.16 -45.3 3.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -125.84 73.5 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.77 131.25 50.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.434 ' C ' ' H ' ' A' ' 76' ' ' PHE . 1.3 mttt -60.64 170.76 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 99.3 m-20 -72.66 5.49 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 74' ' ' LYS . 2.0 t80 -105.56 -29.31 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' C ' ' H ' ' A' ' 79' ' ' LYS . . . -64.24 -78.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.674 ' O ' ' HG2' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.34 42.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.035 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.482 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.6 OUTLIER -145.27 -50.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -6.42 14.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.66 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.93 23.22 2.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' ' 86' ' ' MET . . . -132.62 160.14 37.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -87.63 148.28 24.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -43.12 -27.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.36 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.4 ' N ' ' C ' ' A' ' 83' ' ' ASP . 4.7 t -69.39 -39.45 77.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.519 ' CE ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -47.58 -37.45 12.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.452 ' N ' ' SD ' ' A' ' 86' ' ' MET . . . -52.26 -48.45 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -52.07 5.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 21.7 mm100 -41.01 -62.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.587 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 4.7 mp -49.3 -45.6 45.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -55.43 -17.26 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 109.389 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 30.7 t0 -75.41 -68.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.587 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.15 -47.13 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.532 ' O ' ' CB ' ' A' ' 98' ' ' GLU . 0.9 OUTLIER -52.71 -25.47 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.586 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.0 OUTLIER -75.95 -31.99 59.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.512 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.445 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -90.03 -23.89 31.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.368 1.042 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -89.74 -62.49 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.5 tt0 -44.88 -34.94 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -72.15 -30.89 65.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.55 -8.45 31.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.027 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.25 80.76 12.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.426 ' C ' ' H ' ' A' ' 104' ' ' ASN . 17.9 Cg_endo -75.2 171.37 18.42 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 43.2 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 110.969 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.443 ' CB ' ' HG2' ' A' ' 110' ' ' LYS . 6.7 t-20 -62.15 150.17 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 107' ' ' LYS . 24.0 m-20 -55.18 -21.68 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -83.66 30.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.415 ' H ' ' C ' ' A' ' 105' ' ' ASP . 0.5 OUTLIER -39.72 -29.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.465 ' N ' ' C ' ' A' ' 106' ' ' ASP . 2.8 t -51.16 -49.53 60.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 108.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.477 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 5.7 ttt -103.53 -4.95 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.443 ' HG2' ' CB ' ' A' ' 104' ' ' ASN . 0.4 OUTLIER -88.65 -75.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.383 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.6 m -50.77 -44.91 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.509 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -48.58 -45.74 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.408 1.067 . . . . 0.0 109.264 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.418 ' CG ' ' OH ' ' A' ' 41' ' ' TYR . 2.2 t0 -42.08 -48.32 4.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -76.98 -50.1 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 109.227 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.48 -21.17 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -103.81 -35.29 8.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.92 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 1.2 t -48.57 -51.19 28.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 108.237 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.476 ' CE1' HD23 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -65.31 -37.05 85.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -68.09 -30.56 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.4 OUTLIER -62.73 -31.34 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.375 1.047 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -58.93 -28.89 66.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.252 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.564 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.6 mm -78.55 -37.81 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.519 ' CD2' ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -46.86 -20.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.669 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.466 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 1.6 mtmp? -96.87 27.67 3.87 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.664 HD11 ' N ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -44.93 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 126' ' ' ASN . 2.9 t30 -106.15 -3.19 21.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.605 ' CD2' ' CD1' ' A' ' 125' ' ' LEU . 1.4 m0 -88.82 154.19 20.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.046 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 6.3 p -97.85 118.11 64.35 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.466 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.1 Cg_endo -75.04 51.08 2.71 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.489 1.783 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -42.86 -26.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.433 ' N ' ' C ' ' A' ' 129' ' ' PRO . 4.8 ttp -93.09 101.55 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 133' ' ' LEU . 6.0 p-10 -128.17 126.31 40.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.499 ' C ' ' O ' ' A' ' 132' ' ' ASP . 0.0 OUTLIER -31.97 120.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.385 1.053 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.65 8.51 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.408 1.068 . . . . 0.0 109.359 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.488 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -97.05 -11.42 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.78 32.55 21.19 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.447 1.092 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -103.71 134.46 46.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.26 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.2 m -66.44 110.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.426 HD12 ' CD2' ' A' ' 41' ' ' TYR . 10.1 tp -176.57 -75.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.471 ' CB ' HD13 ' A' ' 133' ' ' LEU . . . -78.44 165.46 23.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.198 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.4 89.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.471 ' CA ' HD12 ' A' ' 133' ' ' LEU . 8.4 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.8 mm -50.25 -37.8 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -19.5 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -111.32 104.87 13.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -120.28 138.53 53.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.528 ' CG ' ' HB2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -70.99 -169.36 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.241 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.44 ' HG ' ' N ' ' A' ' 10' ' ' ASN . 30.1 t -49.48 -101.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 12' ' ' PHE . 10.4 m-20 -124.54 -32.77 3.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.556 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -27.79 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.721 ' CD2' ' CE ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -108.07 -63.94 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.39 -37.87 3.66 Favored Glycine 0 CA--C 1.532 1.123 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -74.48 -53.16 10.07 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.578 0.811 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -56.5 -37.05 69.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 109.263 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.721 ' CE ' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -69.41 -47.85 62.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.63 -41.93 87.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 109.247 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.2 mt-30 -69.03 -41.26 77.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 110.217 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.482 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 10.0 m -61.82 -36.86 82.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 108.33 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -67.47 -5.89 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.24 -69.13 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.482 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -46.53 -43.75 17.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.8 OUTLIER -99.06 -11.82 21.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.559 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.0 m 52.35 16.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.608 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -83.34 168.22 23.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.608 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.94 121.91 6.9 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' HG11 ' A' ' 30' ' ' VAL . 33.3 p-10 -68.61 -1.97 7.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 p -81.7 -39.58 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.519 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 29.3 m -63.98 -36.51 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.468 HG11 ' O ' ' A' ' 27' ' ' ASP . 8.8 p -77.88 -33.3 18.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -71.93 -17.86 62.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.564 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 50.0 t0 -76.52 -29.75 56.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.447 HD21 ' NE1' ' A' ' 37' ' ' TRP . 10.5 mt -50.81 -42.77 58.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -20.4 60.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.552 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -67.18 -73.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER 159.8 29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.564 ' CG ' ' CG ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -95.57 27.25 3.5 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 14.7 mttm -44.69 -56.69 4.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 1.177 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.614 ' CB ' ' CD2' ' A' ' 123' ' ' HIS . 0.7 OUTLIER -47.23 -25.38 0.92 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.381 1.051 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.525 ' OD1' ' CZ3' ' A' ' 37' ' ' TRP . 13.5 t0 -98.74 53.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 38' ' ' LYS . 5.1 m-85 -80.37 -170.39 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' TYR . 2.4 p -33.93 -35.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.1 ttm -43.6 -24.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.403 1.065 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -118.76 -49.14 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -124.24 98.65 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.487 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -58.76 -40.27 83.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -43.18 19.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.226 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.37 -33.01 65.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -80.97 -28.66 44.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.57 -44.65 20.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.486 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -58.39 -47.06 85.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.431 HG21 ' N ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -60.79 -39.17 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.359 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.431 ' N ' HG21 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -59.04 -45.65 90.22 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -68.37 -26.62 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 108.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.569 ' CD2' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -52.64 -35.05 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -70.6 -13.07 61.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.71 -58.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.517 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 17.0 mmtt -111.39 102.76 11.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.556 HD22 ' CD2' ' A' ' 69' ' ' HIS . 1.1 mp -72.33 -17.75 61.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.66 -32.71 74.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 58' ' ' LYS . 23.6 m -85.92 -38.21 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.455 ' N ' HG23 ' A' ' 61' ' ' VAL . 1.4 t -72.0 -42.04 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.473 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -133.4 108.19 12.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -42.24 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -111.42 3.6 18.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.473 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.96 46.9 1.83 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -52.53 -36.93 56.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 109.389 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.732 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -173.05 -175.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.556 ' CD2' HD22 ' A' ' 59' ' ' LEU . 28.4 m80 -146.76 117.33 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.65 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.495 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 15.6 p-80 -39.28 140.92 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.476 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.88 -45.16 3.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.427 1.08 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -128.24 81.93 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.85 131.27 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -60.55 170.76 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.387 1.054 . . . . 0.0 109.225 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 79' ' ' LYS . 12.2 m-20 -71.68 2.25 5.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 109.364 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.411 ' H ' ' C ' ' A' ' 74' ' ' LYS . 1.3 m-85 -90.06 -45.9 8.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.075 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.555 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -60.74 -58.74 7.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.215 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.481 ' CE ' ' HB2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -80.26 41.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.951 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.481 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 4.4 tptp -155.35 -48.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.555 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 1.8 p-80 -64.81 -6.94 9.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -152.49 22.11 0.83 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.456 ' HB2' ' C ' ' A' ' 78' ' ' MET . . . -134.01 138.46 45.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.449 ' N ' ' HB3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -69.32 151.02 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -43.86 -34.35 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 t -80.49 -42.72 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.41 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.449 ' HB3' ' N ' ' A' ' 83' ' ' ASP . 9.1 tpp -53.86 -43.27 69.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.86 -47.65 64.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.74 -38.95 64.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.234 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 9.7 mt-30 -49.78 -53.07 27.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.581 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 12.8 mt -47.52 -48.09 27.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.493 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 3.5 t -53.63 -18.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 2.1 m-20 -74.88 -68.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.581 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.84 -46.97 87.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.522 ' O ' ' CB ' ' A' ' 98' ' ' GLU . 1.0 OUTLIER -51.99 -24.96 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.381 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.52 -29.73 56.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.553 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.85 -24.91 31.12 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 100' ' ' SER . 8.8 m -90.54 -61.66 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 3.1 tt0 -45.83 -32.86 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.57 -30.68 61.81 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.408 1.067 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.562 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.65 -7.43 40.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 109.99 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.91 80.7 9.1 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.04 171.54 18.12 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 43.14 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.008 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.459 ' CB ' ' HG2' ' A' ' 110' ' ' LYS . 10.6 t-20 -62.03 150.44 38.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.623 1.202 . . . . 0.0 109.37 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 107' ' ' LYS . 77.3 m-20 -52.29 -25.16 8.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -84.36 28.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -40.31 -29.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.451 ' N ' ' C ' ' A' ' 106' ' ' ASP . 4.7 t -54.43 -49.91 68.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 106' ' ' ASP . 6.2 ptm -102.95 -4.3 24.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.459 ' HG2' ' CB ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -89.23 -79.29 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.6 m -48.88 -44.79 40.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.483 ' CG2' ' HA ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -48.04 -47.64 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 1.7 t0 -38.91 -56.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.509 ' HA ' ' HB2' ' A' ' 117' ' ' CYS . 1.5 p -77.96 -47.7 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.71 -25.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.346 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.481 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -99.59 -31.03 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.989 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.509 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 7.2 t -40.43 -49.09 2.84 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.153 . . . . 0.0 108.277 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -67.22 -44.22 80.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -59.06 -30.42 68.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.464 ' HG3' ' CD2' ' A' ' 41' ' ' TYR . 13.1 mttt -65.26 -27.08 68.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -57.21 -34.11 68.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 122' ' ' ILE . 1.3 mm -67.7 -39.88 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.614 ' CD2' ' CB ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -50.03 -16.3 0.28 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 0.0 109.58 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.491 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -95.85 24.16 5.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.667 HD11 ' N ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -43.82 -95.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -108.83 -4.53 16.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.572 1.17 . . . . 0.0 109.378 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.594 ' CD2' ' CD1' ' A' ' 125' ' ' LEU . 0.4 OUTLIER -92.06 157.41 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 22.0 m -100.48 117.72 62.38 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.1 Cg_endo -75.08 51.34 2.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.6 p30 -39.51 -30.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.455 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -101.34 100.76 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.474 ' HB2' ' CA ' ' A' ' 141' ' ' GLU . 0.4 OUTLIER -126.44 96.18 4.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.62 ' O ' ' CD2' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -176.19 105.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.469 ' CG2' HD11 ' A' ' 135' ' ' ILE . 11.6 m -116.31 -14.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.469 HD11 ' CG2' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -107.41 -20.79 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.91 23.11 75.94 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.4 174.73 9.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 0.779 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 16.1 m -65.38 102.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.5 -64.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 132' ' ' ASP . . . -74.36 167.22 22.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.474 ' CA ' ' HB2' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -73.63 85.16 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.419 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 3.9 mt-10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 4.6 mm -56.64 -36.68 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.19 0.33 56.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -121.8 105.1 10.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 6.3 p-10 -123.57 146.91 47.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 11' ' ' ASN . 1.4 tt -62.0 -179.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.7 m -49.3 -92.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.516 ' CB ' ' HB2' ' A' ' 14' ' ' LYS . 32.7 m-20 -120.89 -35.77 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.483 ' ND2' ' CD1' ' A' ' 12' ' ' PHE . 3.7 t30 -38.32 -30.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.614 ' CD1' HD13 ' A' ' 55' ' ' LEU . 4.5 m-30 -113.69 -71.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.35 -34.84 3.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.138 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 15.4 ttpt -78.68 -53.79 6.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 11' ' ' ASN . . . -55.79 -44.32 77.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.47 ' N ' ' HE1' ' A' ' 16' ' ' MET . 30.7 mmt -67.38 -38.93 85.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.07 -35.39 74.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 9.6 mt-30 -61.47 -45.11 95.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' LEU . 5.2 m -58.58 -43.45 89.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 108.312 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' CD ' ' HB3' ' A' ' 27' ' ' ASP . 0.5 OUTLIER -56.1 -13.92 2.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -110.45 -71.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 5.0 pt-20 -57.65 -34.52 69.44 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.582 1.177 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.497 ' CD2' ' HG3' ' A' ' 22' ' ' GLU . 3.9 mm? -98.42 -12.63 21.19 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.431 1.082 . . . . 0.0 109.386 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER 46.0 20.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.594 1.184 . . . . 0.0 110.03 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.593 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -88.64 166.73 21.34 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.593 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -75.05 122.78 7.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.474 ' HB3' ' CD ' ' A' ' 20' ' ' LYS . 20.1 p-10 -68.45 1.1 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 26' ' ' PRO . 14.3 p -83.51 -40.94 18.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.482 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 15.6 m -65.4 -37.9 81.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.473 HG21 ' C ' ' A' ' 27' ' ' ASP . 34.1 m -70.11 -30.49 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.5 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.06 -23.35 64.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -63.56 -32.51 74.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.23 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.608 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -50.73 -47.09 59.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.518 ' OH ' ' CD2' ' A' ' 12' ' ' PHE . 81.2 m-85 -58.94 -24.19 62.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 1.4 t-20 -77.47 -73.21 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER 158.62 42.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.658 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.92 19.65 6.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 107.935 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.622 ' C ' ' CD2' ' A' ' 123' ' ' HIS . 1.5 mttt -46.91 -59.5 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.49 ' CA ' ' HB3' ' A' ' 123' ' ' HIS . 6.9 t70 -48.05 -26.47 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.259 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.588 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 3.4 t70 -69.66 88.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.49 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 3.8 m-85 -72.85 162.04 29.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CB ' ' HA ' ' A' ' 46' ' ' ARG . 32.6 m -40.72 -29.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.433 ' N ' ' C ' ' A' ' 41' ' ' TYR . 4.2 ptt? -41.15 -26.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -113.13 -50.18 2.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -133.91 91.39 2.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' GLY . 3.6 ttm-85 -71.54 -38.98 70.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.487 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -48.94 -43.86 40.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.92 -26.25 64.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.5 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.1 -29.52 37.43 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -87.92 -38.92 15.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.479 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . . . -63.5 -48.72 76.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.418 HD11 ' HB2' ' A' ' 55' ' ' LEU . 1.9 tp -48.64 -36.75 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.08 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 50' ' ' CYS . 0.5 OUTLIER -55.48 -38.88 69.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.598 ' O ' ' CG2' ' A' ' 57' ' ' THR . 3.3 m -54.89 -29.78 56.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD13 ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -52.2 -32.34 35.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.254 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.608 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.47 -17.14 60.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.608 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -19.54 -61.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.489 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 6.9 mmtt -114.75 104.86 12.38 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.423 1.077 . . . . 0.0 109.236 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.556 HD22 ' CD2' ' A' ' 69' ' ' HIS . 1.2 mp -70.65 -20.37 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 109.345 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -35.04 79.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 58' ' ' LYS . 27.4 m -84.97 -37.88 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.38 1.05 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.482 ' N ' HG23 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -68.36 -45.21 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 2.7 p30 -127.1 103.92 22.99 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 -42.67 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.628 1.857 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.1 4.26 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.42 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.75 43.18 2.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 111.04 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 0.4 OUTLIER -51.12 -39.52 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.748 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.42 -174.28 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 0.0 109.354 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.556 ' CD2' HD22 ' A' ' 59' ' ' LEU . 48.4 m80 -146.12 117.37 7.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.652 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -42.1 139.37 1.37 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 109.589 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.467 ' HA2' ' CG2' ' A' ' 111' ' ' THR . . . 79.8 -46.21 3.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -126.33 83.46 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.55 130.6 44.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.434 ' O ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -60.43 169.39 1.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.443 ' O ' ' HE1' ' A' ' 78' ' ' MET . 1.0 OUTLIER -72.62 5.86 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' H ' ' C ' ' A' ' 74' ' ' LYS . 31.7 m-85 -105.05 -29.12 10.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 79' ' ' LYS . . . -65.78 -77.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.636 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.24 42.97 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 111.0 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 77' ' ' ALA . 4.8 tmtt? -143.64 -55.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.38 -6.42 18.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.64 43.31 0.69 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.43 1.081 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.591 ' CB ' ' HG2' ' A' ' 86' ' ' MET . . . -130.56 154.67 47.59 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 0.798 . . . . 0.0 109.386 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -96.35 143.99 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.22 -31.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.0 t -74.35 -42.32 59.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.591 ' HG2' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.74 -23.59 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -59.47 -53.28 59.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.471 ' HA ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -91.68 -44.44 9.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.216 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 92' ' ' ASP . 25.1 mm100 -42.93 -59.24 2.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.456 1.097 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.598 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 8.4 mp -45.49 -45.79 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.546 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.4 t -52.58 -16.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 89' ' ' GLN . 6.4 m-20 -77.55 -69.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.41 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.598 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.08 -47.22 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.491 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.1 mt -51.64 -24.45 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.602 1.189 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.37 -32.29 58.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.551 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.24 -23.13 35.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -87.41 -64.18 1.19 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.56 -35.54 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.427 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 19.1 pttt -72.0 -31.08 65.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.5 -7.13 38.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.088 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -116.03 82.98 11.66 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.53 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.95 175.37 11.31 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.515 1.797 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 45.12 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.477 1.777 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.29 143.84 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 107' ' ' LYS . 21.5 m-20 -55.88 -20.71 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 109' ' ' MET . 1.0 OUTLIER -82.28 30.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 111' ' ' THR . 5.9 pttt -40.67 -27.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' ASP . 10.3 t -62.04 -51.89 66.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.37 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.503 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -91.4 -12.14 35.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.53 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.8 OUTLIER -90.14 -67.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 12.9 m -40.93 -45.25 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.5 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -47.44 -47.29 10.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.318 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 4.5 t0 -41.61 -53.82 3.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.489 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -80.48 -56.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.27 -23.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -102.78 -36.74 8.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 4.7 t -40.14 -54.14 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 108.351 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.596 ' CE1' HD23 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -66.67 -35.17 79.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.479 ' O ' ' CE1' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -69.22 -36.03 76.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.654 ' HA ' ' CD2' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -58.44 -31.05 67.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.426 ' OE2' ' CG ' ' A' ' 141' ' ' GLU . 8.5 mm-40 -60.43 -28.85 68.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.56 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.7 mm -82.3 -38.18 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.654 ' CD2' ' HA ' ' A' ' 120' ' ' LYS . 1.1 m-70 -47.95 -19.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.567 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -96.97 27.06 4.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.356 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.638 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.37 -95.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 126' ' ' ASN . 3.4 t30 -98.52 -3.71 35.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.519 ' CE2' HD12 ' A' ' 125' ' ' LEU . 1.7 m0 -90.03 153.76 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 107.997 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.2 m -108.96 117.32 54.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.463 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.3 Cg_endo -75.08 52.21 3.02 Favored 'Trans proline' 0 C--N 1.362 1.256 0 O-C-N 124.448 1.762 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 129' ' ' PRO . 5.3 t30 -39.92 -28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.244 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.463 ' N ' ' C ' ' A' ' 129' ' ' PRO . 4.3 tpp -93.2 101.17 13.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 133' ' ' LEU . 0.4 OUTLIER -122.89 127.19 48.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.557 ' CD2' ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -34.4 114.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.242 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 5.4 p -116.64 6.1 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.517 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -101.77 -5.05 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.235 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.38 29.13 28.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -113.34 134.85 54.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 110.341 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 16.7 m -73.52 122.45 26.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.1 -41.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -111.12 165.24 12.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.426 ' CG ' ' OE2' ' A' ' 121' ' ' GLU . 8.2 tm-20 -72.29 91.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.401 1.063 . . . . 0.0 110.306 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.494 ' C ' ' CD1' ' A' ' 133' ' ' LEU . 48.3 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.408 1.068 . . . . 0.0 109.257 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 1.3 mm-40 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.402 HD11 ' O ' ' A' ' 31' ' ' ALA . 5.1 mm -54.6 -38.66 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.22 1.99 42.02 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 111.09 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.595 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -109.35 106.12 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.231 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.9 p-10 -130.81 139.56 50.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 11' ' ' ASN . 1.5 tt -62.25 177.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -49.48 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 12' ' ' PHE . 3.9 m-20 -120.78 -38.72 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 8' ' ' LEU . 2.9 t30 -36.24 -32.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 10' ' ' ASN . 1.2 t80 -113.59 -67.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.55 -33.9 3.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 1.3 tmmt? -79.24 -53.32 7.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.606 0.827 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 19' ' ' CYS . . . -58.94 -44.3 91.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.524 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 27.3 mmt -64.51 -38.33 90.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.22 -48.57 33.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 12.8 mt-30 -66.01 -39.68 90.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.496 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 29.5 m -61.2 -37.05 81.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 108.34 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.548 ' O ' ' HA ' ' A' ' 24' ' ' SER . 5.9 ttpt -66.58 -5.5 11.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -69.47 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.623 1.202 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.496 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -45.75 -45.42 14.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.225 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.543 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -97.82 -11.86 22.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 51.37 18.24 0.62 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.068 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.611 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -81.47 167.9 28.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.395 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.611 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.4 Cg_endo -74.95 118.57 5.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.496 ' HA ' ' CG2' ' A' ' 30' ' ' VAL . 49.2 p-10 -66.94 -2.16 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.224 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 26' ' ' PRO . 15.8 p -81.78 -40.0 23.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.537 ' O ' ' CZ3' ' A' ' 37' ' ' TRP . 31.3 m -64.25 -36.86 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.191 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.496 ' CG2' ' HA ' ' A' ' 27' ' ' ASP . 3.0 m -80.26 -32.45 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -68.79 -17.54 64.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.592 1.182 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -22.47 57.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.589 HD11 ' CG ' ' A' ' 37' ' ' TRP . 8.1 mp -49.94 -50.44 46.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -54.51 -20.54 7.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.433 ' C ' ' CD2' ' A' ' 36' ' ' PHE . 1.4 t-20 -85.99 -71.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CD2' ' C ' ' A' ' 35' ' ' ASN . 2.5 p90 -176.32 69.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.695 ' CZ2' ' CB ' ' A' ' 48' ' ' ALA . 12.0 t-105 -92.13 -3.21 55.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 108.073 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.8 -58.51 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.597 ' CB ' ' CD2' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -68.03 -32.22 72.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.387 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.64 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.9 t0 -68.21 100.95 1.09 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.463 ' C ' ' N ' ' A' ' 43' ' ' MET . 26.2 t80 -101.22 163.11 12.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.43 ' C ' ' N ' ' A' ' 44' ' ' THR . 92.2 t -40.24 -28.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.463 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -43.73 -23.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.955 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.43 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -107.32 -55.98 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -136.72 115.63 12.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -77.11 -38.28 52.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.484 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.22 -43.55 21.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.695 ' CB ' ' CZ2' ' A' ' 37' ' ' TRP . . . -55.97 -32.35 63.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.526 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -81.19 -23.3 59.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.656 1.222 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -88.14 -43.95 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.543 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -63.78 -48.64 76.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.438 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -50.33 -47.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -42.34 78.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.538 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.5 OUTLIER -57.93 -29.29 65.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.48 HD12 ' CE1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -53.28 -33.11 51.82 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.618 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -74.76 -13.82 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.618 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -18.53 -59.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.532 ' CB ' HG12 ' A' ' 61' ' ' VAL . 6.3 mttm -112.49 92.48 4.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.361 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.625 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -57.97 -16.16 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.77 -24.11 64.39 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.503 1.127 . . . . 0.0 109.38 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.532 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.4 m -80.06 -41.97 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.625 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.63 -45.65 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.8 p-10 -122.99 104.03 36.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -42.09 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.24 0.7 15.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.46 39.33 2.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -53.51 -37.96 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 109.257 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.717 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -166.34 -174.97 3.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 40.4 m170 -146.01 120.37 9.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.52 ' CG ' ' CB ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -45.04 143.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.587 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.71 -45.27 2.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -127.69 75.83 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.15 129.67 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -61.38 171.13 1.51 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 79' ' ' LYS . 70.0 m-20 -71.11 0.81 6.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.21 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.448 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 4.9 t80 -91.42 -40.53 11.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.514 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -63.52 -58.98 5.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -81.36 39.59 0.53 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 111.06 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.2 tmtp? -154.76 -53.23 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.514 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -65.67 -6.96 12.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.632 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.87 23.74 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.59 160.15 36.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.89 141.14 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -45.2 -34.46 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.44 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 10.7 t -80.47 -45.68 17.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.451 ' O ' HD11 ' A' ' 90' ' ' LEU . 1.8 ttp -54.09 -42.81 69.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.26 -47.12 69.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.458 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.5 OUTLIER -75.95 -47.36 25.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 92' ' ' ASP . 20.6 mm100 -44.06 -55.17 4.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.597 1.186 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.679 ' CD2' ' CE1' ' A' ' 118' ' ' PHE . 1.9 mp -46.16 -45.97 16.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.574 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 7.2 t -52.98 -16.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 89' ' ' GLN . 46.6 t0 -76.44 -69.2 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.587 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.33 -47.03 85.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.531 ' O ' ' CB ' ' A' ' 98' ' ' GLU . 1.1 mt -52.26 -24.68 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.218 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.6 m170 -77.02 -28.69 55.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -92.22 -25.6 21.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 100' ' ' SER . 4.6 m -90.67 -65.07 1.05 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -45.75 -31.6 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.363 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 95' ' ' HIS . 3.0 pttt -75.93 -30.6 58.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.561 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.26 -9.35 36.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -118.13 79.63 14.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.429 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.95 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.645 1.866 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 42.92 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 107' ' ' LYS . 3.4 t-20 -61.57 150.57 35.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.2 -29.13 5.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.327 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 109' ' ' MET . 8.9 m-20 -84.65 28.04 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' ASN . 19.9 pttm -40.4 -29.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 106' ' ' ASP . 1.8 t -51.98 -48.34 64.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.478 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 1.3 ttp -103.01 -4.0 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 1.0 OUTLIER -89.36 -79.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.324 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.1 m -48.13 -44.44 32.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.526 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -47.09 -47.51 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 1.3 t0 -39.9 -57.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.463 ' HA ' ' HB2' ' A' ' 117' ' ' CYS . 1.5 p -76.98 -48.64 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -45.63 -26.16 0.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.465 ' CG ' HD12 ' A' ' 112' ' ' ILE . 1.8 mmt -103.11 -31.95 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.463 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 8.8 t -42.38 -55.24 3.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.679 ' CE1' ' CD2' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -66.28 -34.52 78.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 111.006 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -57.16 -30.2 64.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.185 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -67.75 -32.91 73.85 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -59.17 -29.19 67.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.559 HD13 ' CE1' ' A' ' 118' ' ' PHE . 3.0 mm -63.7 -39.35 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.597 ' CD2' ' CB ' ' A' ' 39' ' ' ASP . 14.8 t60 -49.29 -20.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.508 ' O ' ' O ' ' A' ' 125' ' ' LEU . 5.0 mttm -97.97 27.0 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.592 ' CD1' ' CE2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.26 -99.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.46 ' N ' HD11 ' A' ' 125' ' ' LEU . 9.5 t30 -98.23 -31.05 12.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.592 ' CE2' ' CD1' ' A' ' 125' ' ' LEU . 4.2 p-90 -103.48 134.56 46.64 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.629 1.206 . . . . 0.0 107.988 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.9 p -93.92 113.87 61.65 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.591 ' HG3' ' CD2' ' A' ' 123' ' ' HIS . 18.2 Cg_endo -75.0 49.33 2.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -41.77 -30.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.441 ' O ' ' CG ' ' A' ' 131' ' ' MET . 0.0 OUTLIER -94.75 108.61 20.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -129.22 119.12 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.568 ' CD2' ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.51 109.79 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.3 p -116.92 -5.56 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.476 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.57 -20.33 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.25 23.76 58.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.559 1.162 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -123.58 173.98 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -75.43 117.78 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.397 1.06 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 177.4 -49.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -103.85 162.34 13.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.601 1.188 . . . . 0.0 109.238 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.25 90.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.235 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.2 mm -50.63 -40.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -25.21 63.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.62 109.57 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -116.04 138.07 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.587 ' CD1' ' HB2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -72.26 -164.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.496 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 29.7 t -52.78 -105.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.632 ' O ' ' N ' ' A' ' 12' ' ' PHE . 5.2 m-20 -130.26 -30.2 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.603 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -23.35 -44.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.658 ' CD2' ' CD1' ' A' ' 55' ' ' LEU . 20.3 m-85 -107.82 -62.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CE ' ' A' ' 16' ' ' MET . . . -41.04 -32.21 0.56 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.395 1.06 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -80.2 -51.29 9.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -60.81 -45.06 95.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.592 ' HE1' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -65.36 -35.92 82.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.401 1.063 . . . . 0.0 110.947 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.592 ' N ' ' HE1' ' A' ' 16' ' ' MET . 7.4 t0 -70.87 -49.23 48.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.236 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.459 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.7 mt-30 -68.68 -31.49 70.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 2.5 m -65.89 -35.73 81.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.345 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.3 OUTLIER -67.24 -5.39 13.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.507 1.13 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 -68.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.464 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -48.47 -42.87 33.94 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.511 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 2.2 mt -98.71 -11.73 21.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.545 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.63 17.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.948 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.627 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -82.05 167.42 30.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.627 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.5 Cg_endo -75.05 119.19 5.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.797 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.481 ' O ' HG21 ' A' ' 30' ' ' VAL . 54.9 p-10 -68.48 0.08 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 26' ' ' PRO . 4.0 p -81.61 -39.88 23.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.933 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.428 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 14.5 m -64.74 -37.14 79.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.483 HG13 ' CB ' ' A' ' 51' ' ' ALA . 13.4 m -74.96 -32.37 27.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -68.78 -19.05 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.535 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 2.0 t0 -69.43 -25.26 64.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.618 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -57.82 -49.06 77.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.392 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -21.13 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.55 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 1.2 m120 -82.54 -72.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 35' ' ' ASN . 0.0 OUTLIER 160.84 41.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.656 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -92.16 19.01 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 108.061 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.642 ' O ' ' CE2' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -43.44 -58.2 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HA ' ' CG ' ' A' ' 123' ' ' HIS . 26.8 p-10 -47.4 -35.32 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.506 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 15.1 t0 -84.41 81.91 8.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.642 ' CE2' ' O ' ' A' ' 38' ' ' LYS . 72.3 m-85 -98.92 -172.69 2.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' TYR . 18.0 m -35.86 -34.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.163 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.3 ptp -40.8 -25.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -120.81 -49.4 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 110.442 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.46 99.35 5.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -62.53 -43.68 98.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.494 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.47 -43.39 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.39 64.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.517 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -80.35 -30.81 39.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.049 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.31 -45.48 19.59 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -56.54 -48.49 77.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -56.47 -38.69 57.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.532 1.145 . . . . 0.0 109.389 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.426 ' N ' HG21 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -60.22 -45.58 92.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.4 OUTLIER -63.02 -26.73 68.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 1.189 . . . . 0.0 108.294 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.658 ' CD1' ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -51.95 -34.91 44.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.61 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -68.4 -14.28 62.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.61 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -19.9 -57.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.512 ' CB ' HG12 ' A' ' 61' ' ' VAL . 7.5 mmtt -111.79 87.78 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.638 1.211 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.579 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -54.99 -17.74 4.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -67.05 -23.22 65.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.375 1.047 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.512 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.8 m -79.72 -42.09 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.579 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.77 -46.25 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -124.4 110.43 28.49 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.396 1.06 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -41.08 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.787 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.45 3.2 17.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 100.64 45.62 1.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -53.0 -35.77 59.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 0.787 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.725 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.13 -173.57 1.8 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 109.39 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.411 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 18.9 m-70 -143.41 116.68 9.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.605 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.516 ' CG ' ' HB1' ' A' ' 56' ' ' ALA . 5.4 t60 -40.92 141.58 0.58 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.557 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.07 -45.33 3.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -128.54 82.77 2.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 0.72 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.49 130.05 41.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.55 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -61.67 171.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.462 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 4.0 m-20 -71.04 1.6 5.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.55 ' CE2' ' HG2' ' A' ' 74' ' ' LYS . 9.1 m-85 -91.35 -44.06 9.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -61.43 -58.93 6.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -80.21 39.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.464 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 12.9 tttt -154.13 -54.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.61 1.194 . . . . 0.0 109.203 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.459 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -67.61 -6.22 19.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.591 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.74 25.0 0.73 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.145 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.06 134.34 46.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.93 143.71 52.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -42.77 -34.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 10.9 t -80.45 -43.48 20.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.421 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 7.8 ttm -52.82 -43.14 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.17 -46.99 65.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.443 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.2 OUTLIER -74.73 -43.28 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.235 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.0 mm100 -47.33 -54.55 10.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.552 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 13.4 mt -46.51 -47.74 19.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.388 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.584 HG13 ' CD2' ' A' ' 95' ' ' HIS . 4.0 t -52.87 -18.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 33.1 t0 -74.55 -68.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.552 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.83 -46.63 88.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.437 1.086 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.47 ' CG1' HD12 ' A' ' 93' ' ' ILE . 1.1 mt -51.98 -24.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.584 ' CD2' HG13 ' A' ' 91' ' ' VAL . 1.2 m170 -76.11 -30.57 58.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -87.7 -24.03 37.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -87.68 -63.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.65 -35.58 4.22 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 2.5 pttt -71.61 -31.31 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.32 -6.84 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.996 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.68 84.7 12.92 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.582 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.5 Cg_endo -74.94 175.92 10.58 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.93 46.38 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.42 143.09 58.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -56.18 -19.53 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.246 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.2 OUTLIER -81.56 31.27 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.471 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -41.67 -25.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.398 1.061 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.462 ' N ' ' C ' ' A' ' 106' ' ' ASP . 32.3 t -61.5 -51.31 69.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 3.1 ptm -98.51 -9.02 25.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.582 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.49 -69.15 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.415 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 7.1 m -49.14 -43.36 41.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.517 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -48.37 -47.38 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.422 1.076 . . . . 0.0 109.212 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -41.75 -53.19 3.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.381 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.431 ' CG2' ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -74.84 -49.13 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.12 -22.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.581 ' HG3' ' CD1' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -103.46 -36.86 7.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 3.5 t -40.23 -45.94 2.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.414 1.072 . . . . 0.0 108.254 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.1 OUTLIER -66.99 -50.92 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -30.19 70.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.602 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -59.15 -28.58 66.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -60.37 -29.78 69.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.548 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.7 mm -75.94 -38.79 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.595 ' CE1' ' HG3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -48.3 -18.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.663 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.471 ' N ' ' C ' ' A' ' 122' ' ' ILE . 39.5 mttt -95.95 25.64 4.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.623 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -44.12 -94.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.429 ' N ' HD11 ' A' ' 125' ' ' LEU . 10.4 t30 -96.14 -22.03 17.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.606 ' CD1' ' N ' ' A' ' 127' ' ' TRP . 0.0 OUTLIER -90.48 138.7 31.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 30.8 m -121.28 117.06 30.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.595 ' HG3' ' CE1' ' A' ' 123' ' ' HIS . 18.1 Cg_endo -75.04 51.48 2.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 129' ' ' PRO . 2.7 t30 -39.06 -31.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.438 ' N ' ' C ' ' A' ' 129' ' ' PRO . 6.3 mtt -104.38 100.39 10.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.78 114.3 15.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.549 ' CD2' ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -63.05 112.02 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.448 ' CG1' HD11 ' A' ' 135' ' ' ILE . 6.1 p -116.07 -11.8 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.478 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.39 -20.33 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.88 30.26 43.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -121.14 168.71 11.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 0.743 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 34.1 m -65.85 106.62 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 tt -176.14 -45.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.471 ' CB ' ' N ' ' A' ' 133' ' ' LEU . . . -106.72 164.84 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.98 91.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.571 ' OE2' ' CE1' ' A' ' 34' ' ' TYR . 19.9 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 5.3 mm -52.08 -37.64 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.55 -14.92 19.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.9 104.59 12.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 7.0 p-10 -121.4 151.11 40.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.461 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 0.5 OUTLIER -59.77 176.29 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 m -49.98 -91.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' PHE . 7.1 m-20 -118.09 -36.7 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 0.6 OUTLIER -35.14 -34.33 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 10' ' ' ASN . 15.4 m-85 -115.17 -67.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.423 ' HA3' ' ND2' ' A' ' 7' ' ' ASN . . . -43.13 -34.11 2.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 2.0 tmmt? -80.2 -51.14 9.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.409 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . -58.5 -43.19 88.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.552 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 15.4 mmt -68.73 -39.57 80.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -69.05 -48.61 62.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 14.8 mt-30 -66.04 -36.06 82.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.453 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 10.7 m -62.48 -36.29 82.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 108.33 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -66.98 -6.9 18.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -68.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.364 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -48.48 -42.48 32.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 4.2 mt -98.35 -12.12 21.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.371 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 51.27 16.92 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.613 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -82.53 166.13 38.1 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.613 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -75.03 119.54 5.68 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.519 1.8 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.434 ' O ' HG21 ' A' ' 30' ' ' VAL . 46.7 p-10 -68.08 -0.26 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 26' ' ' PRO . 22.6 p -82.03 -41.2 21.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.453 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 11.4 m -65.35 -36.72 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.47 HG13 ' CB ' ' A' ' 51' ' ' ALA . 34.2 m -76.42 -31.83 21.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.488 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.44 -16.14 63.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.415 ' HB3' ' CB ' ' A' ' 37' ' ' TRP . 23.5 t0 -79.29 -26.59 42.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.575 ' HG ' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -50.54 -50.58 52.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.571 ' CE1' ' OE2' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -61.44 -21.51 64.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.85 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.211 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.4 p90 174.11 44.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.589 ' O ' ' CD2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.4 0.83 57.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -44.79 -55.19 5.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.478 ' CA ' ' HB2' ' A' ' 123' ' ' HIS . 7.9 t70 -56.13 -35.47 67.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.557 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 11.9 t0 -71.48 83.21 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.513 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 69.8 t80 -82.09 173.91 11.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.513 ' N ' ' CG ' ' A' ' 41' ' ' TYR . 39.4 t -39.59 -30.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.448 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.7 OUTLIER -41.38 -26.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.438 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -114.8 -54.77 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.82 102.89 6.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.465 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -65.53 -42.81 91.56 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.571 1.169 . . . . 0.0 110.256 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.509 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -48.21 -43.33 31.92 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.591 1.182 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.43 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . . . -56.54 -28.65 60.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.503 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.4 -27.54 43.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.105 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.55 -46.54 9.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.482 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -54.47 -47.96 72.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -54.19 -48.58 66.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.437 ' N ' HG21 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -58.44 -42.36 87.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.393 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.539 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.1 OUTLIER -58.38 -24.85 61.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 0.8 OUTLIER -52.48 -34.22 48.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.621 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.4 -12.82 60.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.621 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -17.68 -60.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 9.0 mmtm -113.27 103.35 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 56' ' ' ALA . 1.2 mp -71.43 -19.83 62.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.28 -34.89 79.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 58' ' ' LYS . 31.2 m -84.37 -38.43 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.46 ' N ' HG23 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -68.75 -44.85 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.459 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -129.72 107.68 17.03 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.447 1.761 . . . . 0.0 111.046 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -110.56 4.27 20.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.459 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.96 47.25 1.93 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -52.04 -37.65 54.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.736 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.07 -174.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.536 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 17.0 m-70 -146.39 116.16 7.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.593 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -39.72 141.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.63 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.48 -44.95 2.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -130.32 85.19 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.58 130.21 42.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 171.6 1.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.514 1.134 . . . . 0.0 109.204 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.491 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 2.3 m-20 -70.8 0.59 6.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -87.1 -46.31 9.9 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' A' ' 79' ' ' LYS . . . -65.07 -58.67 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -76.92 42.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.486 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 6.7 tptt -152.99 -55.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.405 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -69.3 -5.72 24.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.627 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -161.16 46.7 0.38 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.541 ' CB ' ' HG2' ' A' ' 86' ' ' MET . . . -131.26 138.32 49.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -88.05 146.96 25.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -43.51 -32.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.7 t -77.87 -44.58 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.541 ' HG2' ' CB ' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -55.91 -23.96 34.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.419 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -58.09 -57.04 14.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.66 -43.31 10.82 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 25.3 mm100 -41.3 -61.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.624 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 11.1 mp -48.75 -45.34 39.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.593 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -58.1 -20.49 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 31.9 t0 -70.58 -70.03 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.624 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.0 -46.54 93.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.247 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.526 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.1 mm -53.5 -26.46 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.593 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.7 m170 -76.49 -31.47 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.406 ' CA ' ' HG2' ' A' ' 99' ' ' LYS . . . -90.03 -24.65 29.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.606 1.191 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 100' ' ' SER . 12.5 m -89.54 -64.67 1.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -45.49 -32.44 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 110.272 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 95' ' ' HIS . 10.5 ptpt -75.36 -31.06 60.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.2 -6.06 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -114.47 84.3 9.58 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.573 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -74.99 175.92 10.6 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.09 48.29 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.472 ' CB ' ' OD1' ' A' ' 106' ' ' ASP . 78.6 m-20 -62.65 150.83 39.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.448 ' C ' ' H ' ' A' ' 107' ' ' LYS . 76.1 m-20 -57.04 -28.98 63.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.388 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 109' ' ' MET . 33.4 p-10 -81.64 32.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.167 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.537 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 8.3 pttt -41.5 -26.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 106' ' ' ASP . 41.9 t -63.2 -52.2 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -90.51 -10.0 45.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.573 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -89.03 -66.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.598 1.186 . . . . 0.0 109.231 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.722 ' O ' ' N ' ' A' ' 115' ' ' ALA . 9.6 m -43.19 -46.6 6.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -47.6 -46.88 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.373 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 1.3 t70 -42.08 -58.56 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.544 ' HA ' ' HB2' ' A' ' 117' ' ' CYS . 0.9 OUTLIER -84.44 -49.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.722 ' N ' ' O ' ' A' ' 111' ' ' THR . . . -47.89 -24.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 112' ' ' ILE . 1.1 ttm -103.08 -27.6 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 11.0 t -40.2 -53.62 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 108.359 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.595 ' CE1' HD23 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -67.12 -44.09 80.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -58.12 -29.52 65.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.357 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.1 OUTLIER -65.42 -26.83 68.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -53.44 -34.33 57.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.522 ' CD1' ' N ' ' A' ' 122' ' ' ILE . 1.2 mm -70.5 -37.27 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.478 ' HB2' ' CA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -50.03 -15.5 0.21 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.639 1.212 . . . . 0.0 109.605 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.49 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 20.5 mttt -96.35 25.31 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.646 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.16 -93.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 126' ' ' ASN . 3.3 t30 -109.31 -4.06 16.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.609 ' CD1' HD12 ' A' ' 125' ' ' LEU . 0.9 OUTLIER -90.6 155.57 18.76 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.3 m -100.1 117.41 63.29 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.49 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.4 Cg_endo -75.03 51.27 2.75 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.553 1.817 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.9 t30 -39.24 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.442 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -108.48 100.97 10.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.944 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.415 ' C ' ' CB ' ' A' ' 140' ' ' ALA . 13.3 t0 -130.32 125.45 34.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -55.1 130.02 40.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 50.4 t -114.14 -58.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.461 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.41 -11.05 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.19 27.41 36.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.064 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.89 175.6 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.741 . . . . 0.0 110.355 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.4 p -64.07 100.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 8.6 tt -174.53 -63.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.255 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.415 ' CB ' ' C ' ' A' ' 132' ' ' ASP . . . -95.5 164.31 12.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.226 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.85 87.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 109.365 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.4 mm -60.15 -38.15 75.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.645 1.215 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.91 -0.05 49.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.503 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 2.6 tttt -117.82 106.45 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 4.2 p-10 -118.6 140.04 50.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.451 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 1.1 tt -59.44 177.79 0.18 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -48.63 -95.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -116.98 -35.74 4.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -35.08 -36.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.178 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 10' ' ' ASN . 21.7 m-85 -114.34 -66.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.73 -33.64 1.1 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 14.8 ttpt -79.84 -53.35 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.8 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.476 ' CB ' HD23 ' A' ' 55' ' ' LEU . . . -60.19 -42.81 95.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.46 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -62.06 -42.67 99.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.088 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.97 -46.8 70.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 13.1 mt-30 -67.15 -40.18 86.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.508 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 3.5 m -60.87 -38.44 85.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 108.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.4 OUTLIER -66.85 -5.22 11.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.072 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.16 -69.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.508 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -45.49 -45.53 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.5 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -98.37 -11.44 22.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.581 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 51.32 18.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.611 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -82.0 166.74 35.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.611 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.2 Cg_endo -74.98 119.86 5.83 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.478 ' O ' HG21 ' A' ' 30' ' ' VAL . 45.1 p-10 -67.93 0.3 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.453 ' H ' ' C ' ' A' ' 26' ' ' PRO . 14.6 p -81.51 -42.05 20.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 30' ' ' VAL . 11.5 m -65.23 -36.99 79.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.503 HG13 ' CB ' ' A' ' 51' ' ' ALA . 16.8 m -74.95 -31.91 26.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -67.91 -16.73 64.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.071 . . . . 0.0 109.24 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -66.5 -37.48 85.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.573 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 4.2 tp -47.78 -50.73 24.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.503 ' CE2' ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -52.07 -22.8 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.948 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.529 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 1.1 t30 -85.74 -70.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.529 ' CG ' ' C ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER 162.57 44.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 111.082 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.668 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.52 15.77 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 108.09 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.692 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 7.9 ptmt -45.27 -59.74 2.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.526 ' HA ' ' ND1' ' A' ' 123' ' ' HIS . 8.2 p-10 -47.16 -35.29 7.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.611 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 8.6 t70 -72.6 82.58 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.583 1.177 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.55 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 47.7 t80 -80.49 172.39 13.82 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.459 1.099 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.55 ' N ' ' CG ' ' A' ' 41' ' ' TYR . 3.2 t -38.68 -30.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -43.08 -23.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.61 -54.54 2.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.403 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.32 104.5 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' GLY . 1.2 ttm180 -67.18 -43.27 82.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.5 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.22 -42.82 20.91 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.56 -33.23 67.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -78.89 -31.69 42.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.97 -45.22 18.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.503 ' CB ' HG13 ' A' ' 30' ' ' VAL . . . -56.61 -50.03 73.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.442 HG21 ' N ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -59.44 -41.34 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.442 ' N ' HG21 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -62.06 -41.5 98.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.7 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -68.82 -27.98 66.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 108.373 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -41.29 -28.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.646 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -63.16 -11.16 18.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.7 ' N ' ' O ' ' A' ' 54' ' ' CYS . 23.3 p -12.46 -64.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.605 1.191 . . . . 0.0 110.46 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.582 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 2.6 tptt -117.78 94.96 4.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.687 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -54.69 -15.53 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.604 1.19 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 58' ' ' LYS . 17.4 t0 -71.06 -24.83 62.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.582 ' CG2' ' O ' ' A' ' 58' ' ' LYS . 17.7 m -80.03 -37.39 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.687 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -84.7 -45.88 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.5 p30 -123.05 103.61 36.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -42.71 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.18 2.71 16.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.53 39.71 2.52 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.42 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 0.5 OUTLIER -52.38 -42.32 63.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 0.713 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.736 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -165.63 -176.47 3.93 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.155 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.469 ' ND1' ' O ' ' A' ' 68' ' ' LEU . 7.2 m-70 -145.97 115.91 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -41.97 141.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.642 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.11 -45.4 3.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -129.43 81.29 2.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.42 130.54 43.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.223 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.408 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -61.42 171.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.481 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 5.9 m-20 -70.25 0.48 6.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.408 ' H ' ' C ' ' A' ' 74' ' ' LYS . 44.9 m-85 -90.28 -45.42 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.453 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -61.74 -58.85 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.481 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -79.16 40.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.069 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.475 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 1.4 tttm -154.43 -56.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.453 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -66.5 -6.67 15.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.573 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -157.85 36.8 0.54 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.561 1.163 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.48 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.32 131.07 45.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.385 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.89 141.53 49.52 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.391 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.3 -32.99 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 t -77.45 -44.69 28.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.407 1.067 . . . . 0.0 110.418 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.584 ' HE2' ' CZ ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -56.78 -27.31 59.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.445 1.09 . . . . 0.0 111.034 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.453 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -61.24 -47.28 86.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.692 ' NE2' ' C ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -87.69 -51.71 5.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.1 mm100 -38.93 -56.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.572 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 8.5 mp -46.85 -46.03 20.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.588 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 9.0 t -52.36 -17.71 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 37.8 t0 -75.57 -69.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.48 -46.79 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.492 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -52.09 -24.11 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.588 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.19 -30.85 58.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.635 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.29 -24.07 35.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.21 -63.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -45.21 -33.31 2.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.423 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 11.8 ptpt -74.01 -31.66 63.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.07 -7.55 39.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.76 84.99 13.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.566 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.96 176.05 10.41 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.59 1.837 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -74.93 45.74 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.661 1.874 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.458 ' N ' ' HD2' ' A' ' 110' ' ' LYS . 2.0 t-20 -62.46 140.5 58.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.643 1.214 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 107' ' ' LYS . 3.7 m-20 -57.39 -17.61 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.5 OUTLIER -79.28 34.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 109.254 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 2.6 mttp -40.66 -26.03 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 106' ' ' ASP . 12.9 t -60.47 -51.27 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -104.61 -4.47 22.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.566 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.57 -69.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.097 . . . . 0.0 109.244 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.3 m -52.16 -42.65 63.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 116' ' ' MET . 0.1 OUTLIER -46.64 -47.51 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.82 -53.39 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -79.11 -49.12 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.366 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.88 -23.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 112' ' ' ILE . 1.7 mmt -105.02 -36.32 7.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.2 t -42.06 -53.73 3.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 108.384 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.584 ' CZ ' ' HE2' ' A' ' 86' ' ' MET . 0.2 OUTLIER -65.58 -42.45 91.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 110.926 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.574 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.7 OUTLIER -60.34 -29.13 68.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -58.81 -30.22 67.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -60.9 -29.29 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.227 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.504 ' CD1' ' N ' ' A' ' 122' ' ' ILE . 1.2 mm -76.78 -40.78 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.423 1.077 . . . . 0.0 109.379 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.692 ' CD2' ' HB2' ' A' ' 38' ' ' LYS . 2.6 m170 -49.55 -17.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.605 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.484 ' CD ' ' HG3' ' A' ' 129' ' ' PRO . 0.9 OUTLIER -96.53 26.27 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.646 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -44.33 -94.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 126' ' ' ASN . 3.0 t30 -109.33 -3.52 17.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 109.32 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.614 ' CD2' ' CD1' ' A' ' 125' ' ' LEU . 1.2 m0 -89.04 152.19 21.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.1 p -95.89 116.95 66.57 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.339 1.024 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.484 ' HG3' ' CD ' ' A' ' 124' ' ' LYS . 18.3 Cg_endo -74.94 50.46 2.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.5 p30 -40.01 -28.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.47 ' N ' ' C ' ' A' ' 129' ' ' PRO . 12.6 mmt -94.43 103.35 15.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 134' ' ' VAL . 9.0 t0 -127.5 126.95 43.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 81.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 132' ' ' ASP . 8.6 p -116.21 3.8 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.067 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.479 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.85 -20.55 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.04 24.16 67.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.437 1.086 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.67 149.29 50.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 110.252 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.6 m -65.01 108.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -174.91 -61.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.76 165.15 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.462 ' HG3' ' CE ' ' A' ' 43' ' ' MET . 3.0 mt-10 -69.6 88.32 0.5 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.58 1.175 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 65.0 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' LYS . 2.2 tp10 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.5 mm -55.96 -36.67 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -29.19 68.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 111.01 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -109.45 106.44 16.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.9 p-10 -118.33 147.81 43.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.223 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.492 ' CD2' ' HB3' ' A' ' 11' ' ' ASN . 0.4 OUTLIER -60.04 -173.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 t -59.8 -91.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' PHE . 74.7 m-20 -119.59 -38.17 3.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.492 ' HB3' ' CD2' ' A' ' 8' ' ' LEU . 1.7 t30 -34.36 -35.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 10' ' ' ASN . 5.1 m-85 -114.73 -68.62 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.416 ' O ' ' HE1' ' A' ' 16' ' ' MET . . . -44.26 -37.17 4.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 4.8 ttpt -81.19 -45.47 16.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.229 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -60.63 -46.24 91.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.592 ' HE1' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -67.53 -36.65 81.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.592 ' N ' ' HE1' ' A' ' 16' ' ' MET . 8.3 t70 -71.24 -48.77 49.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.4 mt-30 -67.39 -32.2 72.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.486 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 1.3 m -64.12 -39.64 94.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 108.363 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.579 ' O ' ' HA ' ' A' ' 24' ' ' SER . 4.3 ttpt -65.16 -5.67 7.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 0.0 109.313 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.05 -69.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 1.8 pt-20 -47.65 -45.78 28.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 63.9 mt -99.02 -10.6 22.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.52 18.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.61 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -81.9 168.93 20.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.61 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.2 Cg_endo -74.99 120.98 6.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.792 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.472 ' HB2' ' CG ' ' A' ' 16' ' ' MET . 42.4 p-10 -67.86 0.54 3.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.451 ' H ' ' C ' ' A' ' 26' ' ' PRO . 30.3 p -81.95 -39.79 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 15.8 m -64.85 -37.86 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.475 ' CG1' ' HG3' ' A' ' 16' ' ' MET . 9.1 p -73.83 -31.76 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.517 ' HA ' ' CD2' ' A' ' 34' ' ' TYR . . . -67.31 -23.67 65.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -62.64 -29.52 70.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.583 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 17.0 tp -51.45 -49.27 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 31' ' ' ALA . 20.0 m-85 -65.98 -23.43 66.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 1.5 t30 -84.37 -70.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 168.07 69.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 111.025 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CZ3' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -91.56 8.26 37.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 1.176 . . . . 0.0 108.039 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -43.7 -58.23 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.403 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.566 ' HB2' ' CE1' ' A' ' 123' ' ' HIS . 0.3 OUTLIER -67.4 -33.48 75.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.187 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -69.64 93.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.358 1.036 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 42' ' ' VAL . 11.8 t80 -98.4 156.88 16.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 46' ' ' ARG . 33.3 t -39.94 -29.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -39.9 -26.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.956 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -109.8 -52.19 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -134.35 105.62 6.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.475 ' HA ' ' CG1' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -71.73 -33.36 68.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.501 ' H ' ' CD2' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -47.72 -44.93 28.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . . . -56.83 -31.63 64.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.518 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -83.38 -30.09 31.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.567 1.167 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.81 -45.05 21.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.465 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -53.43 -46.9 69.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.408 HG21 ' N ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -58.33 -39.21 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.361 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.408 ' N ' HG21 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -56.52 -46.51 80.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -63.19 -30.21 71.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 108.317 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HA ' ' CB ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -53.95 -33.38 56.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.616 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.5 -13.28 61.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.208 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.616 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.97 -59.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.437 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.524 ' CB ' HG12 ' A' ' 61' ' ' VAL . 53.9 mmtt -113.18 93.13 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.637 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -57.95 -15.98 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -23.28 62.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.524 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.5 m -81.5 -42.04 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.637 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.26 -45.54 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.486 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -124.12 109.93 29.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -41.38 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.02 -0.55 16.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.382 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.486 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 104.73 46.12 1.32 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -53.57 -36.28 61.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.488 0.758 . . . . 0.0 109.355 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.732 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -167.27 -173.98 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.595 1.184 . . . . 0.0 109.285 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.476 ' CD2' HD22 ' A' ' 59' ' ' LEU . 26.8 m80 -144.9 116.68 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.438 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -40.43 140.18 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.649 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.03 -45.8 3.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -122.7 73.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 0.8 . . . . 0.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.455 ' HB3' ' CB ' ' A' ' 77' ' ' ALA . . . -62.09 130.8 47.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.407 ' O ' ' SD ' ' A' ' 78' ' ' MET . 6.5 mmtt -60.38 171.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.484 ' O ' ' CE ' ' A' ' 78' ' ' MET . 22.7 m-20 -71.0 0.88 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -101.16 -34.91 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . . . -53.73 -76.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.732 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.16 42.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.8 OUTLIER -141.24 -50.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -5.27 22.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -144.64 23.09 2.0 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.431 1.082 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.462 ' CB ' ' HG3' ' A' ' 86' ' ' MET . . . -132.37 160.26 36.84 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.597 0.822 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -85.55 143.38 28.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -39.86 -30.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 83' ' ' ASP . 1.6 t -66.5 -40.6 89.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.46 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.564 ' N ' ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -46.82 -37.63 8.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.481 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -48.78 -48.93 40.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.492 ' HA ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -94.35 -45.92 7.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 0.0 110.258 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' A' ' 92' ' ' ASP . 2.3 mt-30 -43.56 -60.67 1.66 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.589 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 9.4 mp -45.28 -45.18 11.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.549 HG12 ' CD2' ' A' ' 95' ' ' HIS . 3.2 t -53.14 -16.02 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.369 1.043 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' GLN . 1.1 m-20 -77.9 -69.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.589 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.83 -47.16 86.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.497 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -52.23 -24.83 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.229 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.549 ' CD2' HG12 ' A' ' 91' ' ' VAL . 1.2 m170 -76.47 -31.78 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.5 -24.12 31.88 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.067 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -88.82 -63.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.6 tt0 -45.31 -33.34 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.25 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.401 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 21.4 pttt -74.77 -31.54 61.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.0 -6.0 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -114.65 83.92 9.5 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.597 1.186 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.55 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.1 Cg_endo -75.09 176.5 9.85 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.414 1.744 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.5 Cg_endo -74.92 46.7 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.811 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.33 140.96 58.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.634 1.209 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' A' ' 107' ' ' LYS . 52.5 m-20 -57.03 -17.78 11.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.2 m-20 -80.47 33.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.527 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -40.18 -26.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.498 ' N ' ' C ' ' A' ' 106' ' ' ASP . 12.9 t -60.31 -51.35 69.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 108.257 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -103.6 -4.65 23.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.2 OUTLIER -88.76 -72.35 0.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.41 ' HA ' ' HE2' ' A' ' 110' ' ' LYS . 4.6 m -52.01 -44.23 64.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.456 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.518 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -47.77 -43.53 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.436 ' CG ' ' OH ' ' A' ' 41' ' ' TYR . 2.1 t70 -43.61 -54.18 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.446 ' CG2' ' CB ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -72.58 -49.81 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.37 -21.9 1.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.473 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . 1.9 tpt -101.21 -36.51 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.2 t -43.86 -48.58 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.307 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.556 ' CE1' HD23 ' A' ' 90' ' ' LEU . 1.1 t80 -65.78 -38.86 90.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -29.63 70.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 123' ' ' HIS . 0.1 OUTLIER -62.22 -29.65 70.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 27.1 mm-40 -60.81 -27.53 68.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.9 mm -73.34 -38.04 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 39' ' ' ASP . 0.8 OUTLIER -46.41 -18.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.645 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.477 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.3 OUTLIER -93.83 25.11 3.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.586 1.178 . . . . 0.0 109.37 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.628 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -48.88 -96.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.39 1.057 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.439 ' N ' HD11 ' A' ' 125' ' ' LEU . 28.0 m-80 -98.63 -25.23 14.79 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.387 1.054 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 127' ' ' TRP . 0.0 OUTLIER -90.43 139.04 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.162 . . . . 0.0 107.983 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.18 117.58 68.57 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.523 ' HB3' ' CD2' ' A' ' 123' ' ' HIS . 18.5 Cg_endo -74.91 51.38 2.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' PRO . 42.8 t30 -39.04 -30.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.443 ' N ' ' C ' ' A' ' 129' ' ' PRO . 1.1 ttt -96.21 100.78 12.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 140' ' ' ALA . 4.4 m-20 -130.15 118.68 21.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.601 ' CD2' ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -175.95 106.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.46 ' CG1' HD11 ' A' ' 135' ' ' ILE . 13.8 p -116.06 -14.68 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.469 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.8 -19.51 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 70.1 33.21 69.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.409 1.068 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -130.27 173.42 10.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 0.8 . . . . 0.0 110.319 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 14.6 m -73.25 99.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.1 tp -178.9 -41.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 132' ' ' ASP . . . -90.81 166.19 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 132' ' ' ASP . 0.3 OUTLIER -73.6 84.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' GLU . 58.6 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.513 ' HB3' ' CG ' ' A' ' 34' ' ' TYR . 2.3 mm-40 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 4.6 mm -56.37 -38.53 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.378 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -0.09 53.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.55 105.48 10.87 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.082 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 4.9 p-10 -119.98 143.44 48.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.441 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 1.7 tt -61.65 177.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 m -48.72 -90.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -117.45 -36.88 3.61 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -35.41 -34.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 10' ' ' ASN . 12.1 m-85 -113.39 -69.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.86 -32.89 1.02 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 3.6 tmmm? -80.14 -52.67 7.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -60.29 -44.42 95.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.534 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 23.1 mmt -63.64 -39.28 93.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -74.54 -37.58 62.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 15.1 mt-30 -72.68 -40.91 65.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.186 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.476 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 87.8 m -62.52 -37.09 84.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.343 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -66.85 -6.75 17.55 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.609 1.193 . . . . 0.0 109.261 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.34 -69.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 1.9 pt-20 -47.57 -43.66 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 50' ' ' CYS . 24.8 mt -98.7 -11.82 21.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.37 1.044 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.549 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER 51.77 17.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.626 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -82.53 165.87 39.62 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.647 1.217 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.626 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.5 Cg_endo -75.0 120.72 6.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.398 1.736 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.462 ' O ' HG11 ' A' ' 30' ' ' VAL . 32.2 p-10 -68.48 0.54 3.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 26' ' ' PRO . 22.1 p -82.4 -40.1 21.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 20.0 m -62.68 -37.94 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.462 HG11 ' O ' ' A' ' 27' ' ' ASP . 8.4 p -74.45 -30.27 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.49 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -66.76 -29.84 69.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -59.92 -23.75 63.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.623 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -59.06 -51.04 71.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.513 ' CG ' ' HB3' ' A' ' 3' ' ' GLU . 0.3 OUTLIER -51.7 -24.62 5.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.498 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 2.4 m-20 -85.71 -72.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.498 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 9.8 p90 176.64 59.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.659 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.42 19.17 6.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -55.56 -55.71 28.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' CA ' ' HB2' ' A' ' 123' ' ' HIS . 23.4 t0 -64.93 -29.13 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -69.35 82.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.532 ' CE1' HG23 ' A' ' 42' ' ' VAL . 12.0 t80 -78.71 155.01 29.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.532 HG23 ' CE1' ' A' ' 41' ' ' TYR . 27.0 m -40.05 -30.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.451 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.9 OUTLIER -41.79 -25.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.905 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -111.24 -52.34 2.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.079 . . . . 0.0 110.34 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.6 91.15 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HG3' ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.84 -33.52 75.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.559 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -50.31 -43.23 53.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.575 1.172 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.57 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . . . -56.86 -32.71 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' HG13 ' A' ' 112' ' ' ILE . . . -83.37 -28.99 34.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 111.066 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 1.2 m -79.53 -45.62 18.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.549 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . . . -53.98 -48.2 70.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.566 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -65.25 -34.51 71.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -49.01 76.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.553 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.4 OUTLIER -67.13 -18.84 65.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.331 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.566 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 0.5 OUTLIER -52.47 -36.34 54.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.647 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.98 -12.38 60.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.647 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.26 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.545 ' CG ' HG12 ' A' ' 61' ' ' VAL . 6.4 tptt -113.2 95.98 5.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.69 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -61.65 -16.63 50.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.373 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -68.68 -22.11 64.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.545 HG12 ' CG ' ' A' ' 58' ' ' LYS . 1.4 m -83.0 -40.66 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.69 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -80.9 -44.44 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 4.1 p30 -121.55 103.71 40.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -43.05 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.404 1.739 . . . . 0.0 110.98 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -112.44 1.86 16.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.76 38.89 2.28 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.438 1.086 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.411 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 56.6 t30 -57.05 -33.95 67.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.627 HD11 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -162.87 -178.02 5.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 8.8 m-70 -151.97 120.53 6.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.584 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.573 ' CG ' ' CB ' ' A' ' 56' ' ' ALA . 44.3 t60 -47.29 139.05 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.73 -44.73 2.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -125.85 82.68 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.35 130.62 44.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.394 1.059 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 170.67 1.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.496 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 5.8 m-20 -70.73 -2.91 16.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -89.16 -46.74 8.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 111.075 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -62.79 -58.2 8.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.498 ' CE ' ' HB2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -78.3 41.22 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 111.011 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.498 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -154.06 -52.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.548 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -68.61 -5.95 22.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.68 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -156.89 29.27 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.466 ' HB1' ' CE ' ' A' ' 86' ' ' MET . . . -131.6 137.8 48.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.156 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.94 142.27 43.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 109.234 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -46.08 -33.28 3.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.4 1.062 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.2 t -77.23 -43.38 33.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.564 ' HE3' ' CE1' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -55.69 -25.13 38.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -62.79 -51.37 67.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.383 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -81.67 -47.78 12.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.615 1.197 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.9 mm100 -42.99 -61.23 1.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.588 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 10.3 mp -48.41 -45.56 36.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.564 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.1 t -52.92 -19.52 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 7.8 m-20 -73.33 -68.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.588 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.9 -47.2 83.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 109.211 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.487 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -51.95 -25.08 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.368 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.564 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 0.7 OUTLIER -76.06 -31.38 58.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.588 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.42 ' C ' ' HG2' ' A' ' 99' ' ' LYS . . . -88.31 -23.79 36.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -87.95 -63.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.66 -33.74 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.355 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 0.0 OUTLIER -73.81 -31.06 63.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.59 -8.48 34.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.032 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.3 80.42 12.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.88 173.87 13.72 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.502 1.791 . . . . 0.0 111.065 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 43.23 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.559 1.82 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' A' ' 102' ' ' PRO . 10.4 t-20 -61.13 150.11 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.413 ' C ' ' H ' ' A' ' 107' ' ' LYS . 6.3 m-20 -55.12 -21.88 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' MET . 4.9 m-20 -83.84 29.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 105' ' ' ASP . 17.6 mtmt -40.8 -29.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 106' ' ' ASP . 4.7 t -55.17 -49.43 71.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 108.284 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -102.24 -4.51 25.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -90.2 -79.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.0 m -47.0 -44.36 20.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 116' ' ' MET . 0.1 OUTLIER -47.2 -45.0 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.228 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 1.3 t70 -44.99 -45.83 10.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.501 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -74.7 -54.29 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.87 -20.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.658 ' CE ' ' CZ2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -103.52 -35.72 8.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 2.4 t -43.57 -53.92 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.354 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.573 ' CD1' HD23 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -65.97 -36.64 83.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -30.71 70.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.593 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.1 OUTLIER -63.99 -33.77 76.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 7.5 mm-40 -58.94 -30.07 67.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.8 mm -81.64 -36.42 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -47.23 -20.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.551 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -96.51 27.13 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.229 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.646 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.8 -95.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 126' ' ' ASN . 3.0 t30 -99.02 -2.17 37.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.516 ' CE2' HD12 ' A' ' 125' ' ' LEU . 2.1 m0 -88.99 156.46 18.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 6.8 m -85.21 118.95 71.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.38 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.427 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.5 Cg_endo -75.0 50.34 2.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -43.46 -27.02 0.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.427 ' N ' ' C ' ' A' ' 129' ' ' PRO . 2.1 ttm -94.2 100.67 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.33 125.01 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.226 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -45.58 113.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 135' ' ' ILE . 4.9 p -115.82 -13.36 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.485 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.35 -21.06 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 69.11 31.52 72.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 111.05 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.6 174.75 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 0.815 . . . . 0.0 110.298 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 16.4 m -69.66 100.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 173.33 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.168 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.475 ' CB ' ' HA ' ' A' ' 133' ' ' LEU . . . -111.03 166.16 11.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.63 90.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.413 ' CG2' ' SG ' ' A' ' 97' ' ' CYS . 12.5 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.421 HD13 ' O ' ' A' ' 31' ' ' ALA . 3.4 mm -56.42 -38.41 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.387 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.5 ttp -98.44 -5.99 31.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.48 105.41 11.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.368 1.043 . . . . 0.0 109.239 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -119.69 138.7 53.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 9' ' ' SER . 3.2 pp -71.81 -167.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.552 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 6.4 t -48.94 -100.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.04 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.593 ' O ' ' N ' ' A' ' 12' ' ' PHE . 4.0 m-20 -125.55 -34.98 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.549 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -28.72 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.678 ' CD2' ' CE ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -108.43 -64.17 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.94 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.84 -38.37 4.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.419 1.075 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -51.41 20.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.08 74.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.678 ' CE ' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.16 -49.1 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.058 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -66.52 -41.13 89.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 14.6 mt-30 -69.22 -40.95 77.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.481 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 2.2 m -60.64 -37.99 83.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.338 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -67.92 -5.17 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.623 1.202 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.99 -69.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.481 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -45.25 -44.71 11.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -98.69 -11.68 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.572 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 51.54 18.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 110.055 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.628 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -84.04 167.94 24.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.628 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -75.05 120.36 6.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.398 1.736 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.475 ' O ' HG11 ' A' ' 30' ' ' VAL . 5.4 t0 -67.22 -2.59 6.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 26' ' ' PRO . 15.3 p -81.54 -39.9 23.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 26' ' ' PRO . 32.2 m -62.94 -36.02 73.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.475 HG11 ' O ' ' A' ' 27' ' ' ASP . 7.5 p -78.87 -31.45 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.592 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . -69.83 -17.27 63.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.568 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 54.9 t0 -77.06 -32.85 57.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.45 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 9.8 mt -50.77 -39.54 52.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.592 ' CE2' ' HA ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -74.5 -20.83 59.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -67.39 -73.45 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.367 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 161.08 28.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.599 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -95.33 26.5 3.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.008 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.606 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 27.7 mttm -43.46 -53.05 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.579 ' CG ' ' CE1' ' A' ' 123' ' ' HIS . 53.5 t0 -47.08 -35.72 7.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.599 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 20.8 t0 -89.07 76.91 7.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.606 ' CD2' ' O ' ' A' ' 38' ' ' LYS . 6.5 m-85 -97.33 -169.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' TYR . 30.9 m -32.53 -36.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -39.5 -27.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -119.68 -49.6 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.457 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.04 98.46 5.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -61.93 -40.42 95.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.249 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.26 -43.76 22.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.229 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.68 -31.84 62.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.491 ' HA3' ' CG1' ' A' ' 42' ' ' VAL . . . -82.19 -29.49 37.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.522 1.139 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.2 -45.32 20.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.486 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -56.63 -47.65 79.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.634 1.209 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -61.45 -39.17 81.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.451 ' CG ' ' CE1' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -59.63 -46.07 90.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -67.24 -20.44 65.67 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.552 1.158 . . . . 0.0 108.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 0.4 OUTLIER -53.56 -34.84 59.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.649 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.74 -12.0 60.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.12 -60.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 56' ' ' ALA . 4.3 mmtt -111.43 104.94 13.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.178 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 56' ' ' ALA . 3.2 mt -71.5 -23.07 61.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.26 -34.41 76.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.482 HG22 ' CB ' ' A' ' 58' ' ' LYS . 30.7 m -88.67 -39.43 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.459 ' N ' HG23 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -65.44 -44.06 94.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.44 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -128.53 104.42 19.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -42.23 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.542 1.812 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.07 4.08 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.44 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 97.95 45.72 2.38 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.02 -41.24 59.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.354 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.75 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -171.01 -174.21 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -146.44 120.97 9.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.591 1.182 . . . . 0.0 109.615 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 56' ' ' ALA . 10.0 t-160 -44.86 139.79 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.6 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 -45.75 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.088 . . . . 0.0 111.074 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -125.03 77.18 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.495 ' HB3' ' CB ' ' A' ' 77' ' ' ALA . . . -62.49 131.57 49.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.73 171.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.485 ' C ' ' CE ' ' A' ' 78' ' ' MET . 39.4 m-20 -71.72 1.55 6.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -102.61 -29.42 11.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.495 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . . . -56.02 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.595 1.184 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.774 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.41 42.48 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 111.086 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.465 ' CG ' ' HE1' ' A' ' 86' ' ' MET . 0.0 OUTLIER -140.91 -50.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.088 . . . . 0.0 109.357 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -69.25 -5.39 22.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 0.0 109.567 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.59 22.92 1.5 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.435 1.084 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.427 ' CB ' ' HG3' ' A' ' 86' ' ' MET . . . -133.44 157.92 44.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -90.47 148.89 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -42.83 -29.66 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -67.6 -37.86 83.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.45 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.521 ' N ' ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -49.29 -38.4 27.16 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 0.0 110.964 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.46 ' N ' ' SD ' ' A' ' 86' ' ' MET . . . -47.5 -47.24 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.676 ' NE2' ' C ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -93.74 -51.98 4.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.401 1.063 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.564 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.3 mt-30 -39.14 -56.39 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.604 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 6.6 mp -47.54 -48.39 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.232 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.567 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 3.2 t -53.32 -14.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 31.9 t0 -79.41 -69.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.604 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.21 -47.53 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.509 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.1 mt -51.7 -24.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.32 -32.41 58.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.667 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.477 ' HA2' ' CE ' ' A' ' 99' ' ' LYS . . . -90.13 -24.12 30.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.6 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -88.53 -63.15 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 4.9 tt0 -45.12 -34.81 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.383 1.052 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.477 ' CE ' ' HA2' ' A' ' 96' ' ' GLY . 0.6 OUTLIER -73.81 -30.14 62.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.45 -7.92 33.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -116.9 80.87 11.52 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.446 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.5 Cg_endo -74.97 174.07 13.41 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.433 1.754 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 41.0 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.556 1.819 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.446 ' H ' ' C ' ' A' ' 102' ' ' PRO . 6.2 t-20 -62.3 146.64 50.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.389 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 107' ' ' LYS . 83.3 m-20 -55.47 -21.72 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.5 OUTLIER -83.88 29.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 105' ' ' ASP . 2.3 ptmt -40.34 -29.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.452 ' N ' ' C ' ' A' ' 106' ' ' ASP . 5.8 t -51.46 -47.81 63.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.9 ptt? -102.22 -6.98 22.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.075 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -90.03 -79.62 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.0 m -45.36 -44.68 11.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 116' ' ' MET . 0.1 OUTLIER -47.41 -44.44 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 6.4 t0 -45.74 -47.74 15.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.49 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -75.08 -56.63 8.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.362 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -47.67 -21.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.538 ' HG3' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -102.14 -35.81 8.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.46 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 1.9 t -45.39 -54.92 6.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.393 1.058 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.573 ' CD1' HD12 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -64.34 -36.04 82.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 110.942 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -62.09 -30.31 70.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.055 . . . . 0.0 109.36 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -63.07 -27.58 69.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 124' ' ' LYS . 48.4 mm-40 -58.18 -27.8 64.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.4 mm -80.44 -41.83 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.613 1.196 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.579 ' CE1' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -47.1 -22.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.577 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -97.19 28.92 3.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.661 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -43.16 -93.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 126' ' ' ASN . 3.3 t30 -112.37 -3.83 14.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.618 ' CD1' HD12 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -90.79 153.39 20.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 108.014 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.7 p -91.86 117.87 67.97 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.516 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.0 Cg_endo -75.1 50.31 2.52 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.64 -32.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 129' ' ' PRO . 1.5 ttt -97.34 101.62 13.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.408 1.067 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.9 95.36 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.436 ' C ' ' CD2' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -174.98 133.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.3 t -115.36 -58.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.467 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.13 -5.52 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.48 30.93 23.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -125.69 175.24 7.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 110.349 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.519 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -68.22 112.2 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -176.71 -50.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -78.95 165.08 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.83 84.39 0.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.485 ' HG2' ' CD1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.524 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 4.8 mm -56.48 -37.36 51.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.67 -7.83 39.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -110.11 106.02 15.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -118.94 139.67 51.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.547 ' CD1' ' HB2' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -70.18 -169.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 8' ' ' LEU . 28.9 t -49.32 -101.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.052 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.619 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -123.77 -31.15 3.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.572 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -29.54 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.619 ' N ' ' O ' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -108.22 -67.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.961 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.15 -34.23 2.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 34.8 ttpt -77.26 -55.72 5.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 0.773 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.49 -43.65 93.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 109.375 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.501 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 30.3 mmt -62.21 -38.76 90.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.051 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.45 -40.9 85.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.092 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.9 mt-30 -72.56 -39.92 67.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.533 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 96.8 m -63.32 -34.77 78.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 108.356 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -68.25 -7.27 29.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.94 -68.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.533 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -46.04 -42.58 13.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 25' ' ' LEU . 3.0 mt -98.33 -12.85 21.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 2.8 m 53.29 16.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.616 1.198 . . . . 0.0 109.989 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.601 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -84.08 165.91 36.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.368 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.601 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.6 Cg_endo -74.92 121.49 6.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.603 1.844 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.483 ' O ' HG11 ' A' ' 30' ' ' VAL . 31.8 p-10 -69.2 -1.18 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.396 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -83.28 -39.7 20.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 26' ' ' PRO . 26.9 m -61.16 -36.31 71.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.485 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 11.0 p -77.13 -32.88 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.524 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -75.67 -28.27 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -70.43 -18.45 63.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.636 HD21 ' CG ' ' A' ' 37' ' ' TRP . 20.6 mt -57.36 -49.79 75.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 3' ' ' GLU . 1.7 m-85 -51.34 -26.45 7.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 110.976 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.566 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 17.0 t30 -69.22 -58.06 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 14.0 m-85 -170.88 80.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.636 ' CG ' HD21 ' A' ' 33' ' ' LEU . 4.4 t90 -89.11 15.78 8.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.481 ' HB3' ' CA ' ' A' ' 123' ' ' HIS . 1.8 mptt -76.32 -64.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.4 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.62 ' CG ' ' CE1' ' A' ' 123' ' ' HIS . 59.6 t0 -73.38 -36.03 66.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.241 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -69.31 101.74 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.523 ' CD2' ' HB2' ' A' ' 43' ' ' MET . 6.3 t80 -102.92 148.44 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.408 ' C ' ' N ' ' A' ' 44' ' ' THR . 1.7 t -40.54 -28.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.523 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -48.6 -19.97 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.91 -48.64 2.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -127.64 95.17 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER -77.1 -41.84 40.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.503 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -46.5 -44.4 17.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.491 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . . . -57.13 -33.77 67.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.483 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -77.33 -22.71 69.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -87.46 -40.74 14.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.564 ' O ' ' SG ' ' A' ' 54' ' ' CYS . . . -56.86 -48.14 78.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.217 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.49 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -66.24 -36.04 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -49.3 76.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.666 ' O ' ' N ' ' A' ' 57' ' ' THR . 3.2 p -70.5 -31.75 68.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.172 . . . . 0.0 108.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.572 HD22 ' CD1' ' A' ' 12' ' ' PHE . 1.5 tm? -40.97 -28.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.64 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -62.67 -11.76 19.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.666 ' N ' ' O ' ' A' ' 54' ' ' CYS . 25.4 p -14.08 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 56' ' ' ALA . 10.9 mmtm -114.61 94.69 4.89 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.572 1.17 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.625 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 1.1 mp -59.38 -15.77 18.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -68.62 -24.22 64.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.572 ' CG2' ' HB3' ' A' ' 11' ' ' ASN . 1.6 m -79.78 -41.15 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.625 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.73 -45.68 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 59' ' ' LEU . 5.4 p-10 -123.48 105.41 33.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -42.76 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.55 1.816 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.01 3.56 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.41 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 101.82 39.91 2.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.419 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 2.5 t30 -52.25 -37.11 54.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 0.782 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.73 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.83 -174.83 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.536 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 23.6 m-70 -146.93 112.91 5.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.405 1.066 . . . . 0.0 109.654 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' HIS . 2.4 t60 -39.05 140.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.522 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.02 -45.1 3.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -130.03 80.24 1.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.741 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.52 131.39 50.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 170.33 1.54 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.471 ' O ' ' CE ' ' A' ' 78' ' ' MET . 10.8 m-20 -72.29 0.5 9.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -101.05 -30.12 11.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 79' ' ' LYS . . . -58.91 -76.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.732 ' O ' ' HG2' ' A' ' 78' ' ' MET . 0.0 OUTLIER -73.99 43.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.1 OUTLIER -142.31 -54.61 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.408 ' NE2' ' OD1' ' A' ' 67' ' ' ASN . 0.2 OUTLIER -71.14 -5.21 29.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.628 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.82 44.06 0.57 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.499 ' CB ' ' HG2' ' A' ' 86' ' ' MET . . . -130.84 134.19 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' A' ' 86' ' ' MET . 4.2 m-20 -74.86 144.6 43.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.411 1.07 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -44.85 -33.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.2 t -77.31 -43.81 31.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.499 ' HG2' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -55.34 -23.06 21.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.475 ' HA ' ' CE ' ' A' ' 86' ' ' MET . . . -60.44 -52.7 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -44.93 8.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.193 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 24.2 mm100 -41.71 -62.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.575 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 10.8 mp -49.15 -44.84 43.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.564 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -54.85 -17.67 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 0.0 109.322 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 32.4 t0 -75.09 -68.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.19 -47.25 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.604 1.19 . . . . 0.0 109.359 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.497 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.61 -24.86 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.564 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -75.89 -30.58 58.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.427 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.16 -24.31 34.88 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.598 1.186 . . . . 0.0 111.005 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.7 OUTLIER -90.28 -61.01 1.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 8.9 tm-20 -45.81 -33.52 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -73.42 -31.0 63.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.8 -8.75 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.056 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.77 79.01 12.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.0 172.1 17.04 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 43.95 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 102' ' ' PRO . 5.6 t-20 -60.61 150.34 32.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 107' ' ' LYS . 1.5 m-20 -52.5 -29.32 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.9 OUTLIER -83.57 29.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.238 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 105' ' ' ASP . 4.8 pttt -40.71 -29.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.432 ' N ' ' C ' ' A' ' 106' ' ' ASP . 13.0 t -51.45 -46.61 63.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 108.274 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 18.4 ttt -101.45 -7.76 22.57 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -89.74 -79.11 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.253 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.5 m -44.75 -44.74 9.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.347 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.483 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -47.5 -44.39 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 0.6 OUTLIER -44.64 -43.47 8.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.102 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.494 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -75.25 -54.61 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.95 -20.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.536 ' CE ' ' CD2' ' A' ' 37' ' ' TRP . 3.2 tpt -101.54 -35.78 9.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 2.5 t -46.9 -51.55 16.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 108.258 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.57 ' CE1' HD23 ' A' ' 90' ' ' LEU . 3.1 t80 -65.58 -33.48 76.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -70.84 -30.38 66.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -67.98 -36.65 80.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.355 1.035 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -55.72 -27.7 51.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' A' ' 125' ' ' LEU . 3.5 mm -66.3 -36.64 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.62 ' CE1' ' CG ' ' A' ' 39' ' ' ASP . 21.4 t-160 -45.29 -19.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.69 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.485 ' N ' ' C ' ' A' ' 122' ' ' ILE . 29.3 mtmt -93.36 25.51 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.608 HD23 ' CZ2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -51.97 -100.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.503 ' N ' HD11 ' A' ' 125' ' ' LEU . 25.1 t30 -94.92 -31.58 13.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.608 ' CZ2' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -98.89 134.39 41.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.494 1.121 . . . . 0.0 108.003 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 68.5 t -105.6 116.76 59.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.355 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.583 ' HG3' ' CE1' ' A' ' 123' ' ' HIS . 18.2 Cg_endo -75.04 49.89 2.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.542 1.812 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -43.04 -35.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.3 ttt -105.71 108.82 20.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -120.03 124.55 46.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -41.49 114.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 135' ' ' ILE . 7.3 p -116.08 -10.6 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.498 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.92 -21.02 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.73 31.86 52.33 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -132.13 171.34 13.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 0.755 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 15.7 m -64.81 115.88 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 172.92 -54.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.68 164.48 23.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -70.62 85.14 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.427 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 5.6 mm-40 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.5 mm -57.47 -37.5 58.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -5.22 26.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.5 104.18 8.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 4.3 p-10 -123.58 142.08 51.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -58.86 171.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m -47.67 -85.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 12' ' ' PHE . 30.8 m120 -120.98 -38.74 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.558 ' ND2' ' CD2' ' A' ' 12' ' ' PHE . 2.1 t30 -33.8 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.558 ' CD2' ' ND2' ' A' ' 11' ' ' ASN . 9.2 m-85 -115.39 -68.64 0.91 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.95 -35.33 0.94 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 3.7 tmmm? -81.99 -51.77 7.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 0.757 . . . . 0.0 109.369 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.93 -43.72 81.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.58 1.175 . . . . 0.0 109.229 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.534 ' SD ' ' CG2' ' A' ' 30' ' ' VAL . 18.4 mmt -67.58 -42.15 83.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -68.53 -46.96 68.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.06 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 11.8 mt-30 -65.23 -37.67 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.432 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 7.6 m -61.74 -37.92 86.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 108.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -66.97 -6.88 18.58 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.368 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.86 -69.06 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -48.39 -41.95 30.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 2.7 mt -98.48 -11.62 22.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 50.64 16.56 0.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.63 HD21 ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -83.27 169.97 15.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.63 ' O ' HD21 ' A' ' 25' ' ' LEU . 18.4 Cg_endo -74.89 121.6 6.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 0.0 111.053 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' HG21 ' A' ' 30' ' ' VAL . 9.8 t70 -68.43 0.13 4.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 26' ' ' PRO . 32.2 p -79.99 -42.12 24.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.489 ' CG2' ' CD2' ' A' ' 25' ' ' LEU . 34.1 m -65.13 -35.39 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.534 ' CG2' ' SD ' ' A' ' 16' ' ' MET . 2.8 m -72.97 -40.36 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -68.88 -19.45 64.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.567 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 66.0 t0 -70.33 -33.83 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.513 ' N ' ' HE1' ' A' ' 37' ' ' TRP . 12.1 mt -53.25 -33.25 52.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -73.61 -22.05 60.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -68.81 -73.14 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.536 ' CB ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 160.14 28.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 1.195 . . . . 0.0 110.985 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -95.04 25.43 4.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.618 ' O ' ' CE2' ' A' ' 41' ' ' TYR . 5.3 mttp -45.02 -52.41 8.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.541 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 2.9 p-10 -46.57 -33.0 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.601 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 10.2 t0 -83.61 85.75 7.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 38' ' ' LYS . 96.7 m-85 -99.53 -169.99 1.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.49 ' C ' ' O ' ' A' ' 41' ' ' TYR . 24.4 t -33.76 -35.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.243 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -38.94 -27.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -117.69 -53.46 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -128.41 110.83 12.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' GLY . 1.8 tmm_? -70.0 -41.48 74.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.447 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.72 -44.06 27.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.244 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.17 70.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.474 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -80.62 -31.58 36.26 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.16 -45.83 17.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.486 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -55.11 -47.08 75.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -56.87 -38.94 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.547 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -63.03 -44.36 96.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -63.12 -21.27 66.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.591 1.182 . . . . 0.0 108.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.516 HD22 ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -52.97 -35.42 58.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.646 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -74.95 -12.53 60.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.65 -60.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' A' ' 56' ' ' ALA . 33.8 mmtt -111.92 95.53 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.624 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 8.6 mt -60.39 -15.54 27.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.34 -23.24 62.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.219 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.517 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.4 m -81.77 -41.83 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.624 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.89 -46.66 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 p30 -123.32 106.26 33.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -41.36 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.54 -0.79 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 104.92 41.54 1.95 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -35.49 46.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.739 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -168.94 -174.52 2.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.434 ' N ' HD21 ' A' ' 68' ' ' LEU . 40.9 m-70 -146.02 118.83 8.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.19 . . . . 0.0 109.585 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.547 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 12.6 t-80 -43.87 141.76 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.83 -45.35 3.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -128.24 79.52 1.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 0.747 . . . . 0.0 109.346 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.32 131.02 46.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.8 172.19 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.474 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 42.8 m-20 -70.27 -0.72 8.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 26.5 m-85 -88.87 -45.02 10.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.599 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -66.31 -58.79 4.59 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.545 ' CE ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -75.83 41.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.452 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 1.2 ttmm -143.92 -57.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.599 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -70.36 -4.75 23.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.618 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.62 41.32 0.75 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.438 1.086 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.475 ' CB ' ' HG2' ' A' ' 86' ' ' MET . . . -131.25 133.66 45.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.8 OUTLIER -80.23 139.7 36.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -40.81 -32.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.287 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.405 ' OG1' ' HG3' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -76.8 -43.28 37.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.408 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -54.11 -28.82 41.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.5 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -53.59 -51.55 62.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.479 ' HA ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -94.6 -43.27 8.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.9 mt-30 -46.0 -59.69 2.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.587 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 10.1 mt -46.29 -44.39 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.583 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.6 t -56.28 -15.6 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 89' ' ' GLN . 5.1 m-20 -76.72 -71.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.587 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -62.64 -47.19 94.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.509 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.54 -26.91 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.9 m170 -76.25 -30.46 57.88 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.534 1.146 . . . . 0.0 109.659 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.38 -23.72 36.19 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.543 1.152 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 101' ' ' ALA . 2.7 m -90.1 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 1.7 tt0 -45.57 -35.31 3.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.245 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -73.01 -30.5 63.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.609 1.193 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.41 -6.58 40.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.94 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.47 82.7 9.96 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.582 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.91 176.28 10.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 44.45 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 102' ' ' PRO . 1.2 t-20 -63.69 142.3 58.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.433 ' C ' ' H ' ' A' ' 107' ' ' LYS . 31.0 m-20 -56.54 -19.87 17.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.8 OUTLIER -82.18 32.71 0.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.441 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 11.3 pttt -40.3 -28.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.474 ' N ' ' C ' ' A' ' 106' ' ' ASP . 33.4 t -61.64 -52.45 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 108.294 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -90.85 -13.51 33.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.582 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.3 OUTLIER -89.4 -69.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 8.2 m -42.92 -44.99 4.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.474 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -48.08 -48.09 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 116' ' ' MET . 2.6 t70 -40.55 -48.81 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.235 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.465 ' CG2' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -84.73 -49.55 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -45.08 -25.75 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.585 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -105.16 -33.14 8.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.133 . . . . 0.0 110.982 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 17.5 t -39.54 -55.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.564 ' CD1' HD12 ' A' ' 90' ' ' LEU . 1.2 t80 -65.65 -42.26 91.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -59.3 -29.95 67.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 41' ' ' TYR . 5.3 mttp -60.65 -28.6 68.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 124' ' ' LYS . 8.0 mm-40 -59.59 -28.9 67.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.589 ' O ' ' N ' ' A' ' 125' ' ' LEU . 2.2 mp -82.25 -42.26 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.541 ' CD2' ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -48.06 -21.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.4 OUTLIER -98.87 25.94 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.681 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -41.93 -95.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.427 ' N ' HD11 ' A' ' 125' ' ' LEU . 4.0 m-80 -104.58 -3.31 23.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.597 ' CD2' ' CD1' ' A' ' 125' ' ' LEU . 1.3 m0 -90.26 154.39 19.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.8 m -92.6 121.06 66.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.435 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.2 Cg_endo -75.02 51.98 2.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.571 1.827 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' PRO . 13.6 t-20 -38.81 -31.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.17 . . . . 0.0 109.367 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.435 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.6 OUTLIER -98.04 99.97 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.487 ' HB3' ' CB ' ' A' ' 140' ' ' ALA . 8.0 m-20 -127.98 96.47 4.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.479 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -171.68 125.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 90.4 t -114.57 -60.18 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.39 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.452 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.36 -11.26 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.3 26.7 35.52 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.91 174.78 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -75.4 114.32 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER 174.34 -70.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.487 ' CB ' ' HB3' ' A' ' 132' ' ' ASP . . . -78.99 165.19 23.72 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.454 1.097 . . . . 0.0 109.238 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.413 ' N ' ' HB3' ' A' ' 132' ' ' ASP . 4.2 mt-10 -69.42 87.07 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 -179.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.541 ' OE2' ' CZ ' ' A' ' 34' ' ' TYR . 5.9 mm-40 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 4.9 mm -53.79 -39.83 41.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 ttm -94.51 -11.85 28.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -109.65 105.63 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.213 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.6 p-10 -119.53 145.98 45.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 109.384 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 11' ' ' ASN . 0.8 OUTLIER -60.08 171.05 1.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.413 ' H ' ' CD1' ' A' ' 8' ' ' LEU . 42.7 t -47.13 -80.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.455 1.097 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 12' ' ' PHE . 71.6 m-20 -121.36 -39.01 2.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.47 ' C ' ' O ' ' A' ' 10' ' ' ASN . 2.2 t30 -34.36 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.511 ' CD1' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -115.1 -66.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.6 -34.8 1.85 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 24.7 ttpp -80.44 -53.96 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 11' ' ' ASN . . . -57.67 -40.98 80.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.44 -48.11 76.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.1 -39.96 86.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 15.3 mt-30 -70.4 -42.64 71.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.441 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 4.3 m -62.08 -40.41 95.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.217 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.597 ' O ' ' HA ' ' A' ' 24' ' ' SER . 1.1 ttpm? -66.48 -4.52 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.83 -69.6 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -46.71 -44.51 18.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -99.34 -11.15 21.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.597 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 50.22 18.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.615 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -81.89 168.46 23.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.361 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.615 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.4 Cg_endo -75.02 119.22 5.55 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.5 1.789 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.464 ' O ' HG21 ' A' ' 30' ' ' VAL . 24.7 p-10 -67.05 0.35 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.447 ' H ' ' C ' ' A' ' 26' ' ' PRO . 6.8 p -81.3 -40.76 23.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.445 HG21 ' N ' ' A' ' 30' ' ' VAL . 23.4 m -64.76 -37.0 79.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.522 HG13 ' CB ' ' A' ' 51' ' ' ALA . 34.9 m -77.53 -31.13 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -65.34 -17.49 64.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -81.02 -19.4 43.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.692 ' CD2' ' CH2' ' A' ' 37' ' ' TRP . 13.3 mt -50.34 -50.95 49.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.541 ' CZ ' ' OE2' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -67.87 -21.88 65.14 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 0.0 110.927 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.568 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -74.29 -73.2 0.24 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 0.4 OUTLIER 158.8 48.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 111.081 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.692 ' CH2' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.35 16.65 9.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 108.044 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -44.61 -55.53 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -51.68 -35.63 43.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.568 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 19.5 t0 -76.09 56.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.219 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.667 ' CD1' ' HB2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -57.46 173.2 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 111.093 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 46' ' ' ARG . 2.2 t -43.18 -36.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.667 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 14.5 mtp -39.37 -27.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.3 m -108.13 -52.61 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.31 98.04 4.59 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.485 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -67.75 -32.34 72.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.54 ' CD2' ' H ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -55.23 -44.28 75.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.173 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.433 ' O ' ' HB ' ' A' ' 52' ' ' ILE . . . -60.32 -32.07 70.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.519 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -80.71 -31.23 36.91 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.511 1.132 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.01 -44.39 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.522 ' CB ' HG13 ' A' ' 30' ' ' VAL . . . -59.58 -49.16 78.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.504 HG21 ' N ' ' A' ' 53' ' ' ASN . 0.1 OUTLIER -50.15 -36.49 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.546 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -62.77 -43.58 98.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.535 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.4 OUTLIER -64.83 -28.63 69.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 108.356 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.511 HD22 ' CD1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -53.46 -33.23 53.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.61 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.41 -13.21 60.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.61 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -18.08 -59.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.472 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.517 ' CB ' HG12 ' A' ' 61' ' ' VAL . 44.0 mmtt -112.54 94.5 4.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.68 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -61.63 -16.09 45.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -22.56 63.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.517 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.3 m -82.99 -41.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.68 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.12 -45.05 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 4.4 p30 -122.31 103.02 39.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.17 -42.13 0.53 Allowed 'Trans proline' 0 C--N 1.362 1.262 0 O-C-N 124.455 1.766 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -111.74 0.54 16.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.66 41.38 1.87 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 2.0 t30 -53.44 -37.31 62.48 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 0.738 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.75 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -171.94 -176.74 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.553 ' CD2' HD22 ' A' ' 59' ' ' LEU . 49.4 m80 -146.15 118.29 8.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.54 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.546 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 10.2 t-80 -42.46 140.55 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.65 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.33 -45.24 3.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.582 1.176 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -127.82 82.19 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.595 0.821 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.75 130.37 43.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.15 172.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.523 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.5 OUTLIER -70.17 -1.41 10.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -86.3 -45.48 11.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 79' ' ' LYS . . . -67.62 -58.43 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.538 ' O ' ' CE ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -75.5 41.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.918 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.477 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 2.7 tttp -148.99 -55.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.415 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -69.43 -5.59 24.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.556 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -155.59 43.81 0.55 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.501 ' CB ' ' HG2' ' A' ' 86' ' ' MET . . . -130.16 133.7 46.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 109.205 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 86' ' ' MET . 4.6 m-20 -81.51 141.35 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -31.21 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 2.2 t -75.51 -43.7 47.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.614 1.196 . . . . 0.0 110.475 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.501 ' HG2' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.23 -26.96 31.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 111.018 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.488 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -53.67 -55.83 22.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.495 ' HA ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -94.01 -43.2 8.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 62.7 mm-40 -44.1 -60.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.603 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 15.7 mt -46.58 -43.4 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.577 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.9 t -57.05 -15.9 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 3.7 m-20 -76.84 -71.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.603 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -60.91 -47.0 95.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.505 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.76 -28.5 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 2.5 m170 -76.38 -29.68 57.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.585 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.419 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -87.73 -24.24 36.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -89.37 -61.94 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.5 OUTLIER -45.76 -34.07 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.96 -30.57 61.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.358 1.036 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.86 -6.83 41.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.39 83.56 10.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.59 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.6 Cg_endo -75.01 176.8 9.44 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.6 Cg_endo -75.02 46.74 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.529 1.805 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.412 ' OD1' ' HG2' ' A' ' 102' ' ' PRO . 27.9 m120 -63.76 142.12 58.52 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.448 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.7 OUTLIER -56.95 -18.79 14.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -81.72 32.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.527 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 19.0 ptmt -41.13 -25.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.473 ' N ' ' O ' ' A' ' 106' ' ' ASP . 25.0 t -61.52 -50.74 71.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 108.3 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.7 ttp -102.6 -4.9 24.51 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.59 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -89.1 -69.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.418 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 6.0 m -52.51 -42.5 64.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.519 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -48.26 -46.57 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.181 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 116' ' ' MET . 1.2 t0 -42.84 -45.41 4.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.427 HG21 ' CB ' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -79.24 -48.91 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.85 -20.23 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.484 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 8.2 ptt? -104.93 -27.73 11.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 116' ' ' MET . 6.9 t -48.98 -55.3 12.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 108.297 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.584 ' CD1' HD12 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -64.91 -43.78 91.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 0.0 110.975 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -59.83 -29.21 68.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.391 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -59.85 -33.32 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -59.01 -29.41 67.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.562 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.4 mm -76.71 -37.53 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.459 ' CE1' ' HB3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -47.9 -18.77 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.513 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 5.5 mttp -96.52 26.23 4.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.671 HD11 ' N ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -44.81 -95.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -103.32 -4.0 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.589 ' CD1' HD12 ' A' ' 125' ' ' LEU . 0.8 OUTLIER -91.0 153.88 19.84 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.24 118.29 59.32 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.471 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.2 Cg_endo -75.05 51.63 2.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.57 1.826 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -43.1 -26.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.45 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -92.99 100.87 13.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.502 ' O ' ' C ' ' A' ' 133' ' ' LEU . 1.0 OUTLIER -128.75 126.47 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 132' ' ' ASP . 0.0 OUTLIER -31.98 117.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.7 p -115.43 7.7 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.385 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.484 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -97.93 -10.2 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.634 1.209 . . . . 0.0 109.342 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.99 33.39 18.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' A' ' 133' ' ' LEU . 1.5 tt0 -107.27 134.23 50.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 0.787 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.7 m -66.82 121.13 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.3 mt 173.01 -68.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.398 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -83.4 165.93 18.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 142' ' ' VAL . 0.7 OUTLIER -74.24 90.28 2.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 110.231 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.485 ' CA ' HD12 ' A' ' 133' ' ' LEU . 25.0 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.7 mm -53.96 -36.9 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.355 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.0 ptm -54.17 -30.22 48.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.73 105.78 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.576 1.172 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -119.89 138.92 53.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.344 1.028 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.58 HD22 ' CB ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.87 -167.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t -59.43 -102.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.015 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.612 ' O ' ' N ' ' A' ' 12' ' ' PHE . 1.9 m-20 -125.24 -27.97 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.54 ' C ' ' O ' ' A' ' 10' ' ' ASN . 2.1 m120 -27.63 -39.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.157 . . . . 0.0 109.28 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.624 ' CD2' ' SD ' ' A' ' 16' ' ' MET . 0.7 OUTLIER -106.9 -64.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 111.028 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.36 -33.58 1.42 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HB2' ' CG ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -75.3 -54.59 6.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 0.803 . . . . 0.0 109.286 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.76 96.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.624 ' SD ' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.17 -38.28 90.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.18 -43.6 73.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.393 1.058 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 20.6 mt-30 -71.15 -35.25 71.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.511 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -64.47 -35.33 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -66.27 -6.8 15.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -112.07 -68.09 0.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.511 ' HG2' ' HA ' ' A' ' 19' ' ' CYS . 1.9 pt-20 -49.19 -44.14 42.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.261 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.496 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 71.3 mt -97.71 -11.14 23.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.541 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.3 m 50.4 18.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.047 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.631 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -82.41 166.53 35.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.631 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.95 120.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.527 ' O ' HG21 ' A' ' 30' ' ' VAL . 11.6 t0 -66.84 -1.93 4.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 26' ' ' PRO . 20.5 p -82.44 -39.3 22.78 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.483 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 31.8 m -63.44 -36.72 77.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.622 1.201 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.549 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -77.47 -32.67 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.361 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -68.49 -16.93 64.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -77.07 -21.03 55.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.603 ' HG ' ' CH2' ' A' ' 37' ' ' TRP . 0.8 OUTLIER -55.82 -51.05 68.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -21.44 61.39 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 17.2 t30 -75.58 -65.51 0.89 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 163.27 46.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.629 ' CE3' ' C ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.17 12.77 19.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 108.001 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 1.5 ttmt -44.83 -55.68 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.614 ' CB ' ' CD2' ' A' ' 123' ' ' HIS . 0.5 OUTLIER -65.31 -28.15 69.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.571 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 17.5 t0 -69.16 87.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.553 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 50.7 t80 -90.24 172.88 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.553 ' N ' ' CG ' ' A' ' 41' ' ' TYR . 25.1 t -38.99 -29.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' TYR . 9.9 tpt -39.42 -27.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -111.42 -59.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.477 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -134.36 114.1 12.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' GLY . 1.3 ttm180 -75.74 -39.77 56.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.446 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.28 -43.37 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.406 ' O ' ' HB ' ' A' ' 52' ' ' ILE . . . -60.85 -33.12 72.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -83.08 -31.85 27.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.9 -45.56 20.36 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.549 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . . . -56.58 -47.77 78.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -54.7 -42.84 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.361 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.443 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -56.82 -41.22 77.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.639 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -65.58 -29.69 70.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 108.171 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.579 HD22 ' CD1' ' A' ' 12' ' ' PHE . 2.2 tm? -41.35 -27.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 109.276 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.617 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -61.23 -12.64 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.639 ' N ' ' O ' ' A' ' 54' ' ' CYS . 27.8 p -17.07 -61.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.504 ' CB ' HG12 ' A' ' 61' ' ' VAL . 11.7 mmtt -114.85 93.1 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.635 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 1.1 mp -58.15 -15.85 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.72 -24.33 63.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.504 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.7 m -80.24 -41.43 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.635 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.23 -46.26 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' LEU . 5.2 p-10 -124.2 105.44 31.41 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -43.17 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.424 1.749 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -112.81 2.66 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.19 39.33 2.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.401 1.063 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.426 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -53.54 -37.73 63.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.736 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -168.78 -176.49 2.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.402 1.064 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.61 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 40.7 m170 -147.25 112.08 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.578 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CB ' ' HB1' ' A' ' 56' ' ' ALA . 3.8 t-80 -40.65 143.39 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 109.615 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.78 -45.0 3.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -129.49 74.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.81 130.38 43.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.402 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -61.77 168.84 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.488 ' O ' ' CE ' ' A' ' 78' ' ' MET . 1.3 m-20 -71.75 1.75 6.41 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.575 1.172 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.455 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 4.6 t80 -100.55 -28.46 12.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.371 1.044 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.491 ' HB3' ' CB ' ' A' ' 68' ' ' LEU . . . -54.48 -76.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.743 ' O ' ' HG2' ' A' ' 78' ' ' MET . 0.0 OUTLIER -76.56 39.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.49 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -144.81 -55.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.455 ' ND1' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -70.46 -5.7 30.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.589 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.8 24.16 1.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.416 ' HB2' ' C ' ' A' ' 78' ' ' MET . . . -131.99 149.34 52.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.45 142.16 53.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 109.376 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.57 -35.66 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 7.3 t -81.4 -44.5 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.409 ' O ' HD11 ' A' ' 90' ' ' LEU . 12.7 ttm -53.52 -42.66 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.19 -46.75 72.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.45 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.4 OUTLIER -74.17 -41.93 60.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.242 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.3 mm100 -48.42 -54.48 13.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.597 HD23 ' CE1' ' A' ' 118' ' ' PHE . 7.3 mp -46.81 -45.52 20.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.545 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 9.4 t -52.43 -17.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 45.4 t0 -76.32 -68.69 0.56 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.576 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.98 -46.98 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.495 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.1 mt -51.92 -24.57 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.213 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.6 -30.74 57.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.63 -24.68 29.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.567 1.167 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 100' ' ' SER . 0.7 OUTLIER -87.94 -63.77 1.25 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 16.4 tt0 -45.77 -33.91 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.201 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.425 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 27.3 pttt -73.46 -31.22 63.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.9 -7.03 41.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.08 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.63 83.31 11.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.574 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.3 Cg_endo -74.98 175.84 10.7 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 111.066 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 17.9 Cg_endo -75.01 45.4 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.578 1.83 . . . . 0.0 111.028 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -63.4 143.77 57.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.098 . . . . 0.0 109.364 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 107' ' ' LYS . 1.4 m-20 -57.08 -19.07 17.16 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.602 1.189 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 110' ' ' LYS . 43.3 m-20 -81.86 30.96 0.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 2.3 mtpt -41.23 -26.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.469 ' N ' ' C ' ' A' ' 106' ' ' ASP . 32.4 t -61.68 -51.44 68.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.563 1.164 . . . . 0.0 108.25 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.3 OUTLIER -97.01 -10.18 26.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.574 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.4 -69.34 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.44 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 7.0 m -48.19 -42.95 31.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.463 ' O ' ' HB2' ' A' ' 116' ' ' MET . 0.1 OUTLIER -47.68 -46.48 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -43.06 -54.06 4.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.46 ' CG2' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -76.23 -48.48 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -47.46 -23.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -105.54 -36.56 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 116' ' ' MET . 4.4 t -41.19 -51.51 3.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 108.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.597 ' CE1' HD23 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -66.31 -45.08 81.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.427 ' HB3' ' CE ' ' A' ' 116' ' ' MET . 6.2 mttt -59.05 -30.87 68.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.1 OUTLIER -61.18 -28.41 69.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 16.1 mm-40 -59.01 -28.81 66.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.5 mm -78.79 -36.86 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.614 ' CD2' ' CB ' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -47.36 -18.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.685 1.241 . . . . 0.0 109.635 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.452 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -95.4 26.82 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.666 HD11 ' N ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -43.77 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 126' ' ' ASN . 3.7 t30 -112.64 -6.19 13.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.603 ' CD1' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -91.79 152.16 20.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 m -94.39 117.81 67.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.0 Cg_endo -74.95 51.12 2.69 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 129' ' ' PRO . 2.3 t-20 -39.23 -31.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.445 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -95.69 100.54 12.24 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.573 1.171 . . . . 0.0 111.054 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.427 ' HB3' ' N ' ' A' ' 141' ' ' GLU . 0.2 OUTLIER -118.63 106.15 12.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.519 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -175.83 115.81 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 92.4 t -115.29 -60.22 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.453 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.45 -19.95 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.52 30.28 27.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.35 173.0 6.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 13.2 m -65.06 99.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.43 -63.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.63 165.19 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.427 ' N ' ' HB3' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -73.35 84.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.443 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 15.9 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 16.4 mm -52.06 -41.6 32.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.41 0.28 17.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 105.19 8.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.226 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.5 p-10 -123.32 139.93 53.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.488 ' HG ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -69.21 -170.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.393 1.058 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -52.45 -99.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.086 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' PHE . 6.5 m120 -121.8 -31.37 3.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.639 1.212 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.553 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -26.77 -42.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.693 ' CE1' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -109.46 -64.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.434 ' HA2' ' SD ' ' A' ' 16' ' ' MET . . . -40.81 -34.79 0.81 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.488 1.118 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 10' ' ' ASN . 18.0 ttpp -80.93 -42.56 21.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.497 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -56.99 -47.82 79.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.535 ' HE2' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -72.96 -38.22 66.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 8.2 t70 -65.88 -39.98 91.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.4 mt-30 -71.81 -42.45 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.542 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 1.1 m -62.33 -40.59 96.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' CD ' ' HB3' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -57.07 -13.37 2.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -109.34 -70.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 3.0 pt-20 -57.42 -34.47 68.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 4.1 mm? -97.85 -12.51 22.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.4 m 45.45 21.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.967 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.598 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -91.64 168.35 13.45 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.598 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.4 Cg_endo -74.98 120.71 6.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.579 1.831 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.491 ' HB3' ' CD ' ' A' ' 20' ' ' LYS . 40.0 p-10 -66.99 -0.68 3.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 0.0 109.232 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 26' ' ' PRO . 29.7 p -82.44 -39.85 21.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' A' ' 26' ' ' PRO . 28.2 m -61.62 -37.37 77.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.478 HG11 ' O ' ' A' ' 27' ' ' ASP . 11.9 p -77.71 -33.09 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.522 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.85 -13.39 62.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 9.2 t0 -72.01 -33.21 67.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.622 ' CD1' ' CZ3' ' A' ' 37' ' ' TRP . 7.2 tp -54.22 -35.02 61.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 31' ' ' ALA . 11.0 m-85 -52.79 -37.59 59.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.373 1.046 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.566 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -86.44 -70.69 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 2.0 m-85 178.28 66.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.425 1.078 . . . . 0.0 111.038 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.635 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.83 15.87 12.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.0 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' O ' ' CE ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -54.76 -55.93 24.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.636 ' CB ' ' CD2' ' A' ' 123' ' ' HIS . 0.3 OUTLIER -59.66 -33.46 71.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.36 85.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.574 ' CE2' HG23 ' A' ' 42' ' ' VAL . 32.6 t80 -92.53 164.05 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.068 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.574 HG23 ' CE2' ' A' ' 41' ' ' TYR . 27.5 m -40.38 -28.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.431 1.082 . . . . 0.0 109.238 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' TYR . 11.2 tpt -38.22 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -112.56 -53.03 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.361 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -133.05 107.74 8.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -63.35 -44.34 95.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -46.81 -43.45 18.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.68 -32.71 59.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.476 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -81.56 -30.56 36.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.71 -40.05 42.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.471 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . . . -55.54 -48.16 75.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -62.53 -47.29 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.461 ' N ' HG21 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -60.02 -45.28 93.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.427 1.079 . . . . 0.0 109.366 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -64.57 -21.9 66.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 108.299 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.693 ' CD2' ' CE1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -52.93 -33.73 52.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.622 1.201 . . . . 0.0 109.347 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.616 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -71.59 -12.05 61.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.232 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.616 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -16.61 -60.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 110.448 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.529 ' CB ' HG12 ' A' ' 61' ' ' VAL . 15.2 mmtt -112.08 94.97 5.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.627 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.7 OUTLIER -59.0 -16.26 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.41 -22.58 62.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.529 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.5 m -82.34 -41.73 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.627 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.88 -45.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.238 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.6 p-10 -123.09 103.35 36.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -42.03 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.93 0.38 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.87 39.44 2.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.958 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.428 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 63.2 t30 -53.43 -37.76 62.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.748 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -167.18 -176.5 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.44 ' N ' HD21 ' A' ' 68' ' ' LEU . 5.9 m-70 -146.71 118.71 8.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.517 ' CG ' ' HB1' ' A' ' 56' ' ' ALA . 8.3 t60 -42.04 142.58 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.607 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.61 -44.69 2.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -128.84 76.76 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.803 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.51 131.25 50.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -60.73 171.34 1.18 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.52 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 3.0 m-20 -70.23 -2.21 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.92 -46.09 10.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.583 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -65.67 -58.95 4.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.527 ' CE ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -76.38 42.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 111.008 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.483 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.3 OUTLIER -152.06 -52.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -67.84 -6.47 21.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.072 . . . . 0.0 109.586 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.529 ' N ' ' HD1' ' A' ' 80' ' ' HIS . . . -159.65 44.94 0.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.571 1.17 . . . . 0.0 111.016 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.512 ' CB ' ' HG2' ' A' ' 86' ' ' MET . . . -131.01 132.97 45.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.763 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' MET . 7.7 m-20 -79.92 141.44 36.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.01 -32.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.311 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -77.38 -41.92 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.512 ' HG2' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.19 -24.53 18.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -59.98 -54.22 48.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -43.37 11.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.629 1.206 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.6 mt-30 -43.3 -62.22 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.59 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 6.4 mp -49.24 -43.97 43.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.227 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.564 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 0.9 OUTLIER -56.31 -18.35 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 109.358 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 39.0 t0 -73.54 -69.36 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.59 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.64 -46.79 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.599 1.187 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.501 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.85 -27.46 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.394 1.059 . . . . 0.0 109.367 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.564 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.5 m170 -75.53 -31.11 59.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.565 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -89.43 -23.96 32.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.33 -61.83 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.486 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.1 tt0 -45.47 -35.33 3.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -73.89 -30.48 62.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.581 1.175 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.0 -5.43 44.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.95 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -114.66 82.8 8.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.559 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -74.99 176.47 9.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 44.97 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.4 1.737 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.78 141.4 58.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.456 ' C ' ' H ' ' A' ' 107' ' ' LYS . 6.9 p-10 -56.54 -18.39 11.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.8 t0 -80.62 32.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.531 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 1.8 tmtt? -40.91 -26.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.475 ' N ' ' C ' ' A' ' 106' ' ' ASP . 11.4 t -62.21 -51.39 68.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.339 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.511 ' N ' ' O ' ' A' ' 106' ' ' ASP . 7.6 ttt -100.67 -4.93 27.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.079 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -90.02 -69.81 0.7 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.421 ' HA ' ' HE2' ' A' ' 110' ' ' LYS . 84.0 m -51.64 -41.45 61.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.476 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -47.45 -46.81 10.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.71 -52.33 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.483 ' CG2' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -75.84 -49.58 25.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.5 -22.2 1.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.59 -37.29 7.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.92 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.0 t -41.5 -54.4 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 108.271 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.581 ' CE1' HD23 ' A' ' 90' ' ' LEU . 1.4 t80 -66.29 -37.71 86.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -62.63 -30.43 71.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.182 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 116' ' ' MET . 27.0 mttt -61.56 -29.13 69.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.447 ' HA ' ' CE ' ' A' ' 124' ' ' LYS . 8.0 mm-40 -59.94 -28.47 67.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.24 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.569 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.6 mm -80.79 -36.42 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.636 ' CD2' ' CB ' ' A' ' 39' ' ' ASP . 2.0 t-160 -47.24 -18.4 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.622 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.493 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -94.73 25.12 4.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.618 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -46.03 -95.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.439 ' H ' ' CD1' ' A' ' 125' ' ' LEU . 28.1 m-80 -96.46 -24.93 15.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.587 ' CE2' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -91.84 137.32 32.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 108.027 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 6.5 m -92.93 116.96 67.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.209 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.597 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.4 Cg_endo -75.03 50.3 2.5 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.427 1.751 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -40.18 -31.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.433 ' N ' ' C ' ' A' ' 129' ' ' PRO . 2.1 ttt -96.53 109.61 22.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.476 ' CB ' ' N ' ' A' ' 141' ' ' GLU . 1.5 t0 -124.34 125.57 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.9 86.95 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.383 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.493 HG13 ' CD1' ' A' ' 135' ' ' ILE . 0.2 OUTLIER -118.41 -45.55 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.493 ' CD1' HG13 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -106.33 -20.63 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.231 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 70.11 23.38 77.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.66 1.225 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.2 173.48 10.08 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.443 0.731 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 18.6 m -65.03 100.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 177.12 -39.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -93.24 165.45 12.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.476 ' N ' ' CB ' ' A' ' 132' ' ' ASP . 0.0 OUTLIER -70.07 85.74 0.54 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.335 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -165.89 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.35 -25.14 33.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.335 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.5 mm -55.21 -37.77 44.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.04 -5.05 28.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -109.57 106.07 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -118.68 139.62 51.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.494 ' O ' ' O ' ' A' ' 9' ' ' SER . 3.3 pp -70.26 -164.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.494 ' O ' ' O ' ' A' ' 8' ' ' LEU . 28.9 t -47.27 -103.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 109.953 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.6 ' O ' ' N ' ' A' ' 12' ' ' PHE . 7.4 m120 -125.55 -34.03 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -34.53 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.794 ' CE1' ' CE1' ' A' ' 34' ' ' TYR . 8.6 t80 -113.73 -64.34 1.32 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.17 -34.28 5.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 10' ' ' ASN . 2.6 ttpt -79.19 -53.82 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -56.3 -41.84 76.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.555 ' CE ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -64.97 -47.14 78.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 110.956 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -67.38 -38.08 84.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.5 mt-30 -71.08 -41.15 71.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.457 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 60.1 m -62.01 -35.87 79.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.38 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 24' ' ' SER . 4.1 ttpt -67.77 -7.03 24.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.22 -68.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -48.58 -42.65 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.252 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 1.1 mt -98.75 -11.05 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.189 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.543 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.19 18.1 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.612 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -84.9 167.61 25.43 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.612 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.6 Cg_endo -74.97 119.83 5.82 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 111.051 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' O ' HG11 ' A' ' 30' ' ' VAL . 30.5 p-10 -68.43 -0.83 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 26' ' ' PRO . 29.2 p -82.49 -41.4 19.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.485 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 14.7 m -64.77 -36.6 78.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG11 ' O ' ' A' ' 27' ' ' ASP . 12.3 p -77.28 -31.73 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.378 1.049 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -69.55 -15.07 63.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.568 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 62.3 t0 -78.3 -30.8 48.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' N ' ' HE1' ' A' ' 37' ' ' TRP . 11.1 mt -52.17 -38.17 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.794 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -73.05 -21.36 60.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.536 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 1.1 t-20 -67.98 -73.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER 159.88 29.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -94.57 26.1 3.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 108.051 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.584 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -45.37 -46.18 12.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.539 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 3.0 t0 -48.63 -32.83 8.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.61 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 8.5 t70 -83.36 89.8 7.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.588 ' CE2' ' HD2' ' A' ' 120' ' ' LYS . 1.5 m-85 -90.66 -175.53 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.434 ' C ' ' N ' ' A' ' 44' ' ' THR . 6.0 m -40.6 -29.68 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.429 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -41.62 -25.3 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.547 1.154 . . . . 0.0 111.068 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.434 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -113.16 -54.7 2.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -135.51 99.22 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.387 1.054 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.483 ' HD2' ' CD1' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -62.44 -33.0 73.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.515 ' CD2' ' H ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -49.38 -44.42 44.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.55 64.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.23 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.42 ' C ' HG13 ' A' ' 112' ' ' ILE . . . -82.39 -30.64 33.03 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.536 1.148 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.25 -45.08 20.49 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -57.4 -47.76 80.86 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -60.03 -39.8 81.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.582 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -60.99 -43.83 98.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -67.9 -20.46 65.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 108.245 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 12' ' ' PHE . 1.3 tp -52.94 -37.64 61.18 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.601 1.188 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.646 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.36 -12.25 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.203 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -15.13 -59.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -111.79 103.81 12.09 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 56' ' ' ALA . 7.9 mt -71.05 -18.78 62.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -32.29 73.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 58' ' ' LYS . 18.9 m -89.26 -39.22 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.466 ' CG2' ' OD1' ' A' ' 11' ' ' ASN . 0.9 OUTLIER -68.76 -41.41 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.446 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -134.73 106.17 10.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -111.07 4.14 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.446 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.48 45.99 2.05 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.14 . . . . 0.0 111.066 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -52.35 -37.33 55.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 0.735 . . . . 0.0 109.283 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.738 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.38 -174.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' HIS . 45.4 m-70 -147.07 116.57 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 14.8 t-80 -39.99 140.0 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.35 -45.14 3.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -127.18 79.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.725 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.15 130.28 42.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.49 171.0 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.389 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.495 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 12.5 m-20 -70.76 0.23 7.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -87.87 -45.98 9.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -63.59 -59.0 5.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.495 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -77.77 41.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 3.8 tptt -153.52 -53.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.43 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -68.77 -5.83 23.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.626 1.204 . . . . 0.0 109.62 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -160.45 39.6 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.484 ' CB ' ' SD ' ' A' ' 86' ' ' MET . . . -131.03 146.87 52.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 0.721 . . . . 0.0 109.372 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.77 138.56 33.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -42.87 -33.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -77.58 -44.28 28.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 110.359 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.486 ' HA ' ' HB2' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -55.48 -24.09 29.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.426 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -54.36 -60.08 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.586 ' HA ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -86.56 -41.63 14.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.486 ' HB2' ' HA ' ' A' ' 86' ' ' MET . 1.6 mt-30 -42.64 -60.85 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.583 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 7.4 mp -47.07 -40.77 15.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.586 HG21 ' HA ' ' A' ' 88' ' ' GLN . 2.8 t -56.78 -15.39 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.373 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 89' ' ' GLN . 2.3 m-20 -76.93 -69.29 0.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.583 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -63.23 -46.72 95.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.511 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -53.03 -26.93 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 2.1 m170 -75.86 -30.5 58.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.634 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' C ' ' HG2' ' A' ' 99' ' ' LYS . . . -88.65 -24.66 32.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -89.23 -62.76 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -45.64 -33.64 3.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 95' ' ' HIS . 2.3 pttt -73.3 -31.4 64.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.64 -8.4 34.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.038 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.48 80.31 12.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.09 171.59 18.02 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 44.67 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 102' ' ' PRO . 1.3 t-20 -61.4 149.79 37.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 107' ' ' LYS . 12.4 m-20 -53.45 -26.81 21.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -83.61 29.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 105' ' ' ASP . 14.5 pttt -39.87 -30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.445 ' N ' ' C ' ' A' ' 106' ' ' ASP . 7.0 t -51.97 -48.27 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' ASP . 22.8 ttt -102.17 -5.95 23.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -90.43 -79.4 0.35 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.2 m -45.15 -43.95 10.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 116' ' ' MET . 0.1 OUTLIER -47.08 -45.92 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -40.8 -42.0 1.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.393 1.058 . . . . 0.0 109.285 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -80.92 -49.36 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.45 -22.18 1.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.47 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 16.1 ptt? -103.3 -31.17 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 116' ' ' MET . 1.8 t -50.8 -53.95 27.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 108.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.572 ' CE1' HD23 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -65.52 -32.64 74.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.093 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -57.64 -30.38 65.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.588 ' HD2' ' CE2' ' A' ' 41' ' ' TYR . 27.0 mtmt -63.95 -32.28 73.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 52.2 mm-40 -59.36 -27.68 66.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.233 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.4 mm -80.73 -40.2 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.539 ' CD2' ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -48.15 -21.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -103.66 30.85 4.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.577 ' O ' ' O ' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -42.93 -102.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.507 ' N ' HD11 ' A' ' 125' ' ' LEU . 39.7 m-80 -102.54 -30.12 11.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.513 ' CD1' HD12 ' A' ' 125' ' ' LEU . 1.9 p-90 -108.7 135.94 49.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 107.982 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' A' ' 128' ' ' VAL . 10.3 p -124.77 90.07 51.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 50.31 2.5 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -40.54 -35.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.27 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.6 mtp -134.94 100.76 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -126.08 125.0 41.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -44.97 116.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 99.4 t -111.58 -53.77 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.381 1.05 . . . . 0.0 109.223 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.492 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.39 -15.87 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.342 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.0 33.11 19.09 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -105.72 172.61 6.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 17.8 m -65.45 100.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.72 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -102.72 163.5 12.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.41 86.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.3 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.4 ' HB3' ' CB ' ' A' ' 5' ' ' MET . 15.1 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -165.94 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.541 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -55.54 -25.2 36.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 110.248 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 5.3 mm -54.02 -52.83 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.4 ' CB ' ' HB3' ' A' ' 1' ' ' SER . 0.0 OUTLIER -81.78 -0.42 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -112.62 105.11 13.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 4.2 p-10 -119.51 140.3 50.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 1.2 tt -60.21 178.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.9 m -49.38 -87.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.586 1.179 . . . . 0.0 109.981 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 12' ' ' PHE . 6.9 m120 -118.16 -38.14 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -35.78 -34.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' ASN . 15.2 m-85 -114.04 -69.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.4 -33.76 0.94 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.426 1.078 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 6.3 ttpt -80.29 -53.75 6.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.384 0.697 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -59.93 -44.71 94.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.525 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 26.6 mmt -62.59 -39.13 92.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.427 1.08 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -72.85 -44.63 61.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.421 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 14.3 mt-30 -67.92 -40.52 83.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.505 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 67.5 m -61.02 -38.26 85.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 108.318 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -67.65 -5.1 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.365 1.041 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.87 -68.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -45.33 -45.58 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.582 1.176 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.424 HD22 ' SG ' ' A' ' 50' ' ' CYS . 1.8 mt -98.35 -11.37 22.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.581 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 51.77 17.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.945 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.613 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -82.74 166.6 35.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.613 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.1 Cg_endo -75.05 120.07 5.9 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.416 1.745 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.461 ' O ' HG11 ' A' ' 30' ' ' VAL . 26.6 p-10 -66.01 -2.17 3.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.202 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 26' ' ' PRO . 33.8 p -81.61 -40.19 23.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.185 . . . . 0.0 110.022 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 35.4 m -64.28 -36.39 76.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.466 ' N ' HG21 ' A' ' 29' ' ' VAL . 9.9 p -76.57 -32.13 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -68.15 -18.56 64.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -65.46 -35.88 82.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.464 ' CD1' ' CZ3' ' A' ' 37' ' ' TRP . 3.6 tp -50.51 -48.96 56.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.541 ' CD1' ' HB3' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -51.02 -29.23 12.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -85.33 -67.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.546 ' CZ ' HD22 ' A' ' 125' ' ' LEU . 0.1 OUTLIER 169.45 53.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.648 ' CE3' ' C ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.18 9.66 27.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.046 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -46.54 -54.19 9.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.206 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.34 -35.5 67.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 52.2 t0 -71.31 84.52 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.606 ' CZ ' ' CG2' ' A' ' 42' ' ' VAL . 28.3 t80 -81.86 163.31 22.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.606 ' CG2' ' CZ ' ' A' ' 41' ' ' TYR . 29.4 m -38.71 -30.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -40.04 -26.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -113.85 -50.04 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.85 93.46 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -66.86 -40.55 87.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.541 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -46.02 -42.97 13.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.93 -32.81 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.196 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.486 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -75.35 -32.29 55.61 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.407 1.067 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.424 ' SG ' HD22 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -81.03 -40.42 24.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.437 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . . . -61.06 -48.6 80.99 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.593 1.183 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -61.41 -40.22 85.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' HG21 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -61.05 -42.44 98.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.548 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.1 OUTLIER -67.72 -21.05 65.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 108.299 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.476 ' HA ' ' CB ' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -52.72 -37.88 59.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.654 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.63 -11.58 60.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.405 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.654 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -12.94 -61.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 110.417 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.557 ' N ' ' O ' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -111.74 95.66 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.645 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 6.4 mt -60.79 -17.04 47.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -67.82 -22.25 65.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.241 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' A' ' 58' ' ' LYS . 1.5 m -82.51 -41.68 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.431 1.082 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.645 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.18 -45.54 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -123.31 109.74 31.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.591 1.182 . . . . 0.0 109.339 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.89 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -111.32 -0.88 16.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 105.36 46.05 1.27 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.406 ' ND2' ' C ' ' A' ' 67' ' ' ASN . 1.3 t30 -53.32 -36.02 60.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.325 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.727 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.48 -173.81 1.77 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.426 ' N ' HD21 ' A' ' 68' ' ' LEU . 40.5 m-70 -144.73 117.94 8.95 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.095 . . . . 0.0 109.537 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.504 ' CG ' ' HB1' ' A' ' 56' ' ' ALA . 16.6 t60 -42.01 140.09 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.522 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.54 -45.61 3.12 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -124.43 77.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 109.316 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.0 130.81 44.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -60.88 172.2 1.02 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.325 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.49 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.5 OUTLIER -69.8 -1.89 10.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -88.54 -46.0 9.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 79' ' ' LYS . . . -65.33 -58.33 6.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.51 ' O ' ' CE ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -76.55 41.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.608 1.192 . . . . 0.0 111.011 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.486 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 7.8 tmtt? -149.59 -53.34 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.155 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -5.69 27.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.87 39.93 0.5 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.089 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.05 131.02 45.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.18 139.16 54.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.48 -33.32 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 1.2 t -75.95 -44.71 38.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.526 ' HE2' ' CZ ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -56.35 -24.01 41.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 110.941 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.423 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -53.93 -61.13 2.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.563 ' HA ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -88.63 -40.6 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.9 mt-30 -42.29 -61.43 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.261 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.581 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 9.8 mp -47.19 -42.22 19.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.412 1.07 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.568 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 3.2 t -54.95 -16.31 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 1.5 m-20 -76.63 -69.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.581 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.61 -47.08 90.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.499 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.53 -25.68 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.6 m170 -75.96 -30.52 58.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.423 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -87.14 -23.97 39.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -90.16 -60.77 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.9 OUTLIER -45.65 -35.42 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.64 1.212 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -71.39 -30.81 66.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.45 -8.67 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 110.037 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.88 79.68 13.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.425 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -75.05 173.5 14.41 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.793 . . . . 0.0 110.988 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 42.83 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' A' ' 102' ' ' PRO . 3.4 t-20 -61.73 150.04 37.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.413 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.9 OUTLIER -54.68 -21.6 11.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' MET . 4.2 m-20 -83.61 28.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 105' ' ' ASP . 22.3 pttt -40.51 -29.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.457 ' N ' ' C ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -54.97 -50.63 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.334 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 4.1 ptt? -101.36 -4.31 27.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -90.14 -79.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 98.0 m -45.83 -44.34 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.486 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -46.72 -46.01 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 1.5 t70 -43.75 -43.52 6.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.495 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -77.96 -53.0 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.25 -20.94 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.546 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 5.6 mmm -102.97 -35.35 8.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 2.4 t -44.31 -54.77 5.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.364 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.575 ' CE1' HD23 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -65.14 -35.69 81.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -31.97 73.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -27.93 69.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 124' ' ' LYS . 6.9 mm-40 -57.38 -27.5 62.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.4 mm -80.14 -39.73 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.427 1.079 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.454 ' CD2' ' C ' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -49.0 -21.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -99.41 28.91 4.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.561 ' O ' ' O ' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -44.43 -103.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.512 ' N ' HD11 ' A' ' 125' ' ' LEU . 8.2 t30 -103.82 -29.82 10.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.371 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.51 ' CE2' HD23 ' A' ' 125' ' ' LEU . 25.6 p-90 -108.61 145.36 35.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 107.977 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 64.7 t -116.82 113.84 39.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 49.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -44.86 -35.23 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.62 109.42 21.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.579 1.174 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -128.95 125.1 36.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.559 ' O ' ' CD2' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.3 111.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.224 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 6.2 p -116.4 -7.91 12.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.467 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.62 -20.85 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 75.65 31.95 55.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -131.23 170.7 14.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 0.74 . . . . 0.0 110.338 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 16.0 m -65.77 114.33 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.398 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 175.18 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -90.82 164.79 13.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 85.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.477 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 1' ' ' SER . 18.3 Cg_endo -75.04 -164.32 0.23 Allowed 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.459 1.768 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 9.9 mm-40 -54.44 -25.16 23.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.4 mm -57.75 -38.44 65.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.417 ' HB2' ' N ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -97.82 -9.1 27.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -110.1 106.72 16.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.4 p-10 -118.65 139.33 51.69 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.459 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 1.2 tt -63.53 -179.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.1 t -48.98 -92.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.494 ' O ' ' C ' ' A' ' 11' ' ' ASN . 4.2 m120 -119.19 -38.2 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.242 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -33.35 -37.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.579 ' CE2' ' OH ' ' A' ' 34' ' ' TYR . 23.6 m-85 -113.8 -64.94 1.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.411 1.069 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.99 -42.82 8.2 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 12.6 ttpt -72.46 -51.56 19.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 0.719 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -55.47 -42.37 74.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.605 1.191 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.495 ' HE3' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -67.22 -44.9 78.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.58 -37.65 85.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 16.8 mt-30 -71.88 -40.83 68.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.489 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 90.9 m -65.33 -35.01 79.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -67.37 -7.14 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.616 1.197 . . . . 0.0 109.308 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.8 -68.06 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.489 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 1.7 pt-20 -49.09 -42.98 40.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.504 ' CD1' ' HB3' ' A' ' 50' ' ' CYS . 35.0 mt -97.95 -10.84 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.534 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 49.85 17.79 0.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 0.0 110.057 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.605 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -85.17 167.65 24.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.605 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.99 120.45 6.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.456 ' O ' HG11 ' A' ' 30' ' ' VAL . 27.3 p-10 -68.34 -1.49 6.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 26' ' ' PRO . 13.2 p -82.57 -40.17 21.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.487 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 24.9 m -64.59 -36.8 78.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.468 ' N ' HG21 ' A' ' 29' ' ' VAL . 9.2 p -77.45 -32.37 18.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -69.44 -17.62 63.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -75.18 -19.82 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.238 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.604 ' HG ' ' CH2' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -59.39 -50.84 72.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.579 ' OH ' ' CE2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -55.58 -21.44 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 36' ' ' PHE . 1.2 m-20 -78.63 -72.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 35' ' ' ASN . 9.7 p90 172.87 46.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.622 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.24 13.67 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -43.66 -55.75 4.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.466 ' N ' ' HB2' ' A' ' 123' ' ' HIS . 0.6 OUTLIER -63.87 -32.25 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.513 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 43.1 t0 -70.14 59.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.598 ' CD1' ' CB ' ' A' ' 43' ' ' MET . 0.1 OUTLIER -63.25 172.65 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' THR . 14.5 t -41.4 -35.41 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.598 ' CB ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -38.74 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 111.032 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -109.49 -49.78 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.42 98.73 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.463 ' HA ' ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -66.07 -43.2 88.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.499 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -46.78 -43.47 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.12 -32.96 62.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.547 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -75.51 -32.05 55.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.504 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -81.93 -42.6 19.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.587 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . . . -55.96 -48.72 75.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.473 ' HA ' ' HB2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -65.27 -35.75 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.404 ' ND2' ' HB ' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -58.39 -51.25 70.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.587 ' SG ' ' HA ' ' A' ' 51' ' ' ALA . 1.6 p -68.2 -25.09 65.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.35 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.543 HD22 ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -51.24 -36.17 40.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.628 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -74.29 -12.22 60.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.628 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.92 -60.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -111.74 105.62 14.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 56' ' ' ALA . 3.6 mt -72.12 -21.95 61.4 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -35.06 77.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 58' ' ' LYS . 31.3 m -84.97 -38.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.476 ' N ' HG23 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -67.23 -45.44 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.5 OUTLIER -125.53 106.24 27.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -42.38 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.62 4.4 20.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.445 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.22 47.63 2.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -52.6 -37.65 58.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 0.716 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.73 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -174.05 -173.4 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -145.31 120.32 10.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.652 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -48.05 141.29 6.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.646 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 -45.9 3.21 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.606 1.191 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -128.91 81.02 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.776 . . . . 0.0 109.358 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.22 129.47 40.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.482 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -61.61 172.69 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.489 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 2.9 m-20 -72.54 7.98 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.482 ' H ' ' C ' ' A' ' 74' ' ' LYS . 5.7 m-85 -104.87 -28.99 10.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.441 ' O ' ' ND1' ' A' ' 80' ' ' HIS . . . -68.16 -76.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.354 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.669 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.39 43.12 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 75' ' ' ASP . 3.6 tppt? -143.56 -51.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -67.82 -6.5 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.564 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -145.22 23.24 1.9 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.521 ' CB ' ' HG3' ' A' ' 86' ' ' MET . . . -132.41 160.49 36.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 0.747 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -95.8 149.86 21.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.72 -30.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 83' ' ' ASP . 1.5 t -66.36 -41.77 89.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.349 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.581 ' N ' ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -45.24 -38.75 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 110.979 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.462 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -48.47 -49.28 36.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.401 ' HA ' HG21 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -94.17 -45.36 7.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 2.1 mt-30 -44.28 -56.73 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.625 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 9.0 mp -47.02 -49.34 21.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.577 HG12 ' CD2' ' A' ' 95' ' ' HIS . 2.5 t -54.69 -14.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 27.9 t0 -79.71 -71.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.625 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.37 -47.52 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.378 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.549 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -51.69 -24.63 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.399 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.577 ' CD2' HG12 ' A' ' 91' ' ' VAL . 0.9 OUTLIER -76.21 -30.38 57.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 109.639 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -87.49 -23.89 38.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.3 m -90.62 -61.19 1.73 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.6 tm-20 -45.59 -32.57 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.97 -30.72 61.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.357 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.25 -8.28 33.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.431 1.082 . . . . 0.0 110.052 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -116.88 80.85 11.47 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.426 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.11 172.37 16.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 43.57 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.426 ' H ' ' C ' ' A' ' 102' ' ' PRO . 3.3 t-20 -61.87 148.73 42.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -55.24 -23.16 21.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.3 OUTLIER -83.67 30.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 105' ' ' ASP . 17.7 mtmt -40.21 -30.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 106' ' ' ASP . 12.2 t -54.86 -48.94 72.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 108.267 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -101.16 -6.73 23.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.984 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -89.41 -79.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.9 m -43.66 -42.42 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.413 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.547 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -44.57 -46.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 116' ' ' MET . 0.8 OUTLIER -42.54 -42.4 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.493 HG21 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -81.66 -49.07 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.226 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.79 -22.03 1.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.467 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 13.1 ptt? -102.74 -29.25 11.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 116' ' ' MET . 2.3 t -53.95 -47.46 71.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.317 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -63.88 -46.19 86.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -30.69 71.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -29.28 62.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.413 ' OE1' ' CD1' ' A' ' 90' ' ' LEU . 35.7 mt-10 -59.09 -35.59 73.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 125' ' ' LEU . 2.0 mm -75.76 -37.29 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.581 ' CE1' ' HG3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -46.89 -19.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.679 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.482 ' N ' ' C ' ' A' ' 122' ' ' ILE . 22.2 mtpt -95.57 26.15 4.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.655 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -46.04 -95.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.452 ' H ' ' CD1' ' A' ' 125' ' ' LEU . 10.4 t30 -97.66 -20.1 17.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.198 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.573 ' CZ2' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -90.25 138.79 31.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 31.1 m -119.44 117.31 33.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.581 ' HG3' ' CE1' ' A' ' 123' ' ' HIS . 18.1 Cg_endo -75.06 50.24 2.49 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' PRO . 18.5 p-10 -40.26 -29.88 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.436 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -111.85 105.13 13.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.7 123.17 30.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.493 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -161.89 124.11 2.9 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.622 1.201 . . . . 0.0 109.298 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.2 t -115.18 -59.47 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.458 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.63 -14.75 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.41 24.02 52.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -105.79 174.17 6.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 14.3 m -65.8 100.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.68 -47.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -90.28 164.9 14.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.66 84.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -164.42 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -54.67 -25.04 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 4.3 mm -57.37 -38.17 61.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -1.63 40.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -124.03 106.37 10.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.2 p-10 -118.81 139.56 51.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.47 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 0.4 OUTLIER -62.97 178.09 0.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.425 ' H ' ' CD1' ' A' ' 8' ' ' LEU . 46.7 m -48.07 -97.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 12' ' ' PHE . 77.9 m-20 -121.87 -39.05 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.639 ' H ' ' ND2' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -32.96 -37.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.44 1.088 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.573 ' CZ ' HD22 ' A' ' 55' ' ' LEU . 13.0 m-85 -115.11 -66.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.41 1.069 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.505 ' HA2' ' SD ' ' A' ' 16' ' ' MET . . . -43.67 -35.97 3.26 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -80.79 -41.51 23.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 0.73 . . . . 0.0 109.372 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 11' ' ' ASN . . . -57.28 -48.45 78.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.521 ' CE ' ' O ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.96 -37.17 69.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.21 -44.36 84.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' NE2' ' HD3' ' A' ' 14' ' ' LYS . 14.3 mt-30 -71.18 -33.56 70.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.529 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 0.8 OUTLIER -65.7 -35.59 81.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 108.189 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -64.99 -7.31 11.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.69 -68.55 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HG2' ' HA ' ' A' ' 19' ' ' CYS . 2.3 pt-20 -50.27 -44.44 53.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.435 ' C ' ' N ' ' A' ' 25' ' ' LEU . 58.7 mt -98.24 -9.94 24.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 49.09 18.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.617 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -81.81 168.71 22.27 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.617 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.5 Cg_endo -74.93 119.89 5.86 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.498 ' O ' HG11 ' A' ' 30' ' ' VAL . 52.9 p-10 -67.76 -1.15 4.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.224 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 26' ' ' PRO . 33.7 p -81.66 -39.16 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 34.7 m -61.69 -36.66 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.498 HG11 ' O ' ' A' ' 27' ' ' ASP . 12.0 p -77.6 -31.19 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.185 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.508 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.03 -17.56 64.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -78.97 -19.69 51.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.374 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.606 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -56.65 -52.53 64.55 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.45 1.094 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.66 -23.68 67.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -77.9 -76.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.177 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.592 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 40.8 p90 173.91 66.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.606 ' CZ2' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -90.5 8.42 33.99 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -58.37 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -68.34 -34.36 75.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 37' ' ' TRP . 11.3 t0 -77.31 94.03 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.558 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 53.3 t80 -102.04 173.74 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.558 ' N ' ' CG ' ' A' ' 41' ' ' TYR . 49.0 t -39.33 -29.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.544 1.153 . . . . 0.0 109.231 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' TYR . 2.2 tpp -38.48 -28.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -105.91 -57.11 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.405 ' OD2' HG12 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -138.8 106.06 5.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.48 ' HD2' ' CD1' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -59.56 -33.86 71.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.492 ' CD2' ' H ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -46.84 -43.98 19.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.6 ' O ' ' CH2' ' A' ' 37' ' ' TRP . . . -55.9 -33.0 64.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.569 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -81.48 -30.54 36.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.79 -43.03 26.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.04 -46.93 75.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.455 ' CG2' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -59.84 -42.16 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.442 ' N ' HG21 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -59.05 -43.51 91.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -67.87 -28.65 67.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.573 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -52.96 -34.97 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.32 -12.93 61.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.198 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.72 -58.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.485 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 8.9 mmtt -111.51 101.89 10.27 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -71.9 -19.6 61.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -34.84 79.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.497 ' HB ' ' CG ' ' A' ' 11' ' ' ASN . 27.2 m -84.18 -37.76 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.492 ' N ' HG23 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -69.79 -43.26 80.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.456 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 2.2 p-10 -131.34 106.12 14.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 109.226 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.579 1.831 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.59 3.89 19.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.33 44.15 2.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -50.64 -37.57 41.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 0.795 . . . . 0.0 109.249 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.739 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.43 -174.4 0.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 39.8 m170 -146.45 116.49 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.539 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -41.43 140.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.587 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.84 -45.5 3.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 111.065 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -127.57 81.18 2.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 0.75 . . . . 0.0 109.246 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.46 127.63 32.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.392 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' A' ' 76' ' ' PHE . 7.8 mttm -60.69 172.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.497 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 66.4 m-20 -70.41 1.68 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 109.23 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.424 ' H ' ' C ' ' A' ' 74' ' ' LYS . 18.9 m-85 -88.59 -45.64 9.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.44 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -64.29 -58.86 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.497 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -77.48 41.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 111.048 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.476 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 11.7 tttt -152.81 -51.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -68.29 -6.2 22.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 0.0 109.569 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -152.72 23.86 0.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.539 ' CB ' ' HG2' ' A' ' 86' ' ' MET . . . -131.43 134.46 46.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.562 ' O ' ' CG ' ' A' ' 86' ' ' MET . 7.6 m-20 -78.99 147.71 32.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -41.77 -31.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.412 ' OG1' ' HG3' ' A' ' 89' ' ' GLN . 1.3 t -64.27 -37.84 88.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.364 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.562 ' CG ' ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -52.64 -29.21 25.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.475 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -52.92 -51.7 60.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.4 ' O ' ' OD1' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -94.12 -45.47 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.241 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.5 mt-30 -44.75 -63.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.565 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 33.5 mt -48.57 -44.69 36.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.596 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.1 t -55.28 -20.07 6.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 7.3 m-20 -71.56 -69.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.32 -46.89 91.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.486 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -53.48 -25.99 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.596 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.5 m170 -76.15 -31.14 58.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.657 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.431 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.13 -23.59 37.37 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.5 -62.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -45.08 -35.66 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.483 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.1 OUTLIER -72.3 -30.61 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.97 -7.13 37.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.924 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.53 84.26 11.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.57 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -75.08 176.29 10.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.428 1.751 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.06 47.25 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -63.8 141.5 58.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 107' ' ' LYS . 7.3 m-20 -56.25 -18.49 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.4 OUTLIER -81.4 32.13 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.541 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 25.7 pttt -41.46 -25.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.4 1.062 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.49 ' N ' ' C ' ' A' ' 106' ' ' ASP . 25.5 t -60.09 -51.39 69.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -103.31 -4.73 23.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.57 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.5 -70.63 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.2 m -51.98 -43.21 63.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.569 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -47.6 -43.36 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.417 ' CG ' ' OH ' ' A' ' 41' ' ' TYR . 3.8 t0 -45.84 -54.03 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.388 1.055 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -71.72 -50.07 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.22 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.02 -20.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.479 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.52 -35.97 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.7 t -41.95 -50.06 4.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.522 1.139 . . . . 0.0 108.311 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.561 ' CD1' HD12 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.75 -46.13 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -59.93 -30.19 68.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.5 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.6 OUTLIER -61.47 -28.65 69.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 10.2 mm-40 -58.29 -28.64 65.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.238 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.6 mm -77.42 -37.56 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -47.12 -20.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.636 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.529 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -97.79 28.26 3.97 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.57 ' N ' ' O ' ' A' ' 122' ' ' ILE . 0.1 OUTLIER -45.5 -103.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.518 ' N ' HD11 ' A' ' 125' ' ' LEU . 38.6 m-80 -101.33 -30.54 11.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.532 ' CD1' HD12 ' A' ' 125' ' ' LEU . 8.8 p-90 -107.68 139.55 42.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.0 m -115.93 113.31 42.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 49.94 2.4 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.448 1.762 . . . . 0.0 110.987 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -40.98 -32.66 0.25 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.86 106.69 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.01 124.34 51.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.447 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.8 126.08 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.0 t -113.64 -51.95 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.434 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.469 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.09 -15.26 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.02 33.14 18.95 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.16 162.5 12.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 16.4 m -65.55 101.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.376 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 179.4 -46.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -96.89 164.93 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.46 86.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.387 1.054 . . . . 0.0 109.339 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.446 ' HB2' ' CB ' ' A' ' 5' ' ' MET . 92.7 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.551 1.816 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 5.7 mp0 -54.0 -25.0 18.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 4.2 mm -58.93 -37.75 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.446 ' CB ' ' HB2' ' A' ' 1' ' ' SER . 0.0 OUTLIER -83.03 -1.6 53.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 12.4 tttp -115.4 105.07 12.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.394 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.6 p-10 -131.1 139.63 49.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.442 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 1.0 OUTLIER -60.06 170.5 1.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.432 ' H ' ' CD1' ' A' ' 8' ' ' LEU . 59.7 m -46.85 -78.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.402 1.063 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' PHE . 18.2 m120 -121.23 -38.84 2.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.427 1.079 . . . . 0.0 109.359 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.454 ' ND2' ' CG2' ' A' ' 61' ' ' VAL . 6.5 t-20 -36.78 -33.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.561 ' CD1' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -115.64 -69.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.15 -34.03 1.41 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 1.6 tmmm? -81.19 -53.72 6.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.754 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 11' ' ' ASN . . . -57.75 -42.99 85.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.516 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 30.0 mmt -64.48 -42.67 95.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.33 -47.52 56.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 10.2 mt-30 -64.27 -40.13 95.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 8.1 m -59.71 -39.02 83.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 108.324 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -67.96 -5.32 16.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -112.03 -69.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -45.25 -44.38 11.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -98.74 -11.98 21.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.546 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 52.26 17.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.378 1.049 . . . . 0.0 110.065 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.613 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -83.96 167.3 28.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.613 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.6 Cg_endo -74.87 121.26 6.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' O ' HG11 ' A' ' 30' ' ' VAL . 45.8 t0 -68.2 -0.89 5.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 26' ' ' PRO . 26.9 p -81.47 -41.97 20.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.45 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 14.4 m -65.29 -36.45 77.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.433 HG11 ' O ' ' A' ' 27' ' ' ASP . 12.6 p -77.74 -32.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.479 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.47 -17.05 64.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.56 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 66.8 t0 -75.85 -32.39 59.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.49 ' N ' ' HE1' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -53.92 -28.05 34.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.361 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -73.44 -26.0 60.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.61 1.194 . . . . 0.0 110.992 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.577 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -70.3 -74.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CG ' ' C ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER 159.99 34.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.612 ' CZ3' ' CG ' ' A' ' 40' ' ' ASP . 1.2 p-90 -93.66 24.64 3.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 107.966 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 85.0 mttt -48.08 -40.82 24.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -49.47 -23.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.612 ' CG ' ' CZ3' ' A' ' 37' ' ' TRP . 10.3 t70 -89.02 93.27 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 120' ' ' LYS . 2.1 m-85 -87.83 175.64 7.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 46' ' ' ARG . 25.1 t -40.12 -29.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.235 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -40.45 -25.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.958 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -112.48 -59.14 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.404 ' CG ' HD21 ' A' ' 47' ' ' LEU . 10.9 t70 -132.78 106.17 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.483 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -71.28 -33.77 70.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.496 ' H ' ' CD2' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -47.75 -44.18 27.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.28 -32.2 66.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.462 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.29 -30.36 34.17 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.22 -43.83 23.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.486 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -59.44 -48.21 82.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -59.88 -40.12 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -42.7 99.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.517 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -65.71 -18.35 65.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 108.35 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.561 HD22 ' CD1' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -53.07 -34.92 58.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.24 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.637 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -74.9 -12.39 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.637 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -15.69 -58.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.438 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.643 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 10.1 mmtt -109.12 105.58 15.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.71 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 4.8 mt -72.27 -15.49 61.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -29.88 61.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.643 ' CG2' ' O ' ' A' ' 58' ' ' LYS . 24.5 m -76.08 -36.74 31.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.71 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -83.9 -46.38 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.375 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.474 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -125.8 110.08 25.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -41.12 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 3.19 20.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.59 44.42 2.31 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 0.1 OUTLIER -50.93 -36.56 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.723 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -170.1 -174.3 1.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.426 ' N ' HD21 ' A' ' 68' ' ' LEU . 56.6 m-70 -146.04 114.13 6.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.569 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.529 ' CG ' ' HB1' ' A' ' 56' ' ' ALA . 9.7 t60 -37.95 142.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.33 -45.76 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -125.29 75.03 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.05 130.43 43.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 171.64 1.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 109.242 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.485 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 2.2 m-20 -69.75 -2.25 11.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.282 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -88.79 -46.07 9.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.18 -58.51 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.485 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -78.12 41.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.939 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.481 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 15.4 tptt -153.53 -53.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.379 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -5.77 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -159.54 36.36 0.47 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.475 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.75 130.51 43.85 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.578 0.811 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -69.95 140.41 53.01 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.446 1.091 . . . . 0.0 109.373 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -44.78 -33.18 1.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.3 t -77.83 -44.18 28.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.435 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.583 ' HE3' ' CZ ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -56.63 -26.13 55.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -63.72 -49.07 74.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 89' ' ' GLN . 0.6 OUTLIER -86.21 -47.31 9.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.553 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 24.2 mm100 -42.8 -55.57 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.623 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 7.4 mp -46.48 -47.26 19.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.562 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.0 t -53.96 -15.44 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.483 1.115 . . . . 0.0 109.375 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -78.15 -71.03 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.623 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.13 -47.28 85.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.519 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.0 -24.02 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -75.65 -31.34 59.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.577 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.77 -23.69 35.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.572 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.7 OUTLIER -89.0 -63.88 1.23 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 4.7 tt0 -45.28 -33.1 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 12.2 pttt -73.99 -31.45 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.56 -8.82 34.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.5 79.95 12.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.97 173.2 14.91 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 43.2 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' A' ' 102' ' ' PRO . 6.2 t-20 -62.02 147.99 45.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 107' ' ' LYS . 10.7 p-10 -53.09 -26.15 15.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 109' ' ' MET . 17.4 m-20 -83.55 29.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 105' ' ' ASP . 2.7 pttt -40.2 -29.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 106' ' ' ASP . 7.7 t -51.82 -47.24 64.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 108.3 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 106' ' ' ASP . 12.0 ttt -101.77 -7.56 22.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -90.2 -79.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.7 m -43.26 -42.91 4.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 116' ' ' MET . 0.1 OUTLIER -45.91 -45.81 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.591 1.182 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 117' ' ' CYS . 4.4 t0 -42.44 -50.97 5.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.77 -58.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.02 -22.61 0.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 120' ' ' LYS . 38.0 ttp -101.34 -35.77 9.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.606 1.192 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 0.8 OUTLIER -47.73 -45.78 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.583 ' CZ ' ' HE3' ' A' ' 86' ' ' MET . 0.3 OUTLIER -63.86 -51.26 65.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -62.88 -30.32 71.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -61.39 -26.3 67.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.504 ' OE2' ' CD1' ' A' ' 90' ' ' LEU . 43.9 mt-10 -56.66 -36.62 69.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 110.362 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.598 ' O ' ' N ' ' A' ' 125' ' ' LEU . 2.2 mm -64.72 -36.21 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -46.28 -21.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 0.0 109.536 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.54 ' O ' ' O ' ' A' ' 125' ' ' LEU . 1.9 ptmt -97.88 28.84 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.598 ' N ' ' O ' ' A' ' 122' ' ' ILE . 0.1 OUTLIER -45.46 -102.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.511 ' N ' HD11 ' A' ' 125' ' ' LEU . 9.8 t30 -103.2 -30.04 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.588 ' CD1' HD12 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -107.37 136.46 47.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 107.994 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.1 m -121.42 89.41 47.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 49.47 2.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -47.78 -29.32 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.2 mtt -123.87 102.57 7.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.443 1.09 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -130.37 98.05 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.603 1.189 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.546 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -62.63 111.61 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 135' ' ' ILE . 26.1 m -116.22 -11.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.473 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.29 -20.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.258 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.63 32.4 27.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.31 169.49 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 12.9 m -75.65 103.38 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -175.18 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.472 ' CB ' ' N ' ' A' ' 133' ' ' LEU . . . -110.89 165.1 12.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -70.89 92.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.471 ' CG2' ' HG ' ' A' ' 133' ' ' LEU . 10.4 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -163.47 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.543 1.812 . . . . 0.0 110.969 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.575 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 7.8 mm-40 -54.38 -25.32 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.373 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.2 mm -57.95 -39.0 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -2.69 24.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 111.061 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -125.63 106.45 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -119.0 139.06 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.547 ' CD1' ' HB3' ' A' ' 11' ' ' ASN . 2.2 pp -69.72 -166.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.476 ' O ' ' O ' ' A' ' 8' ' ' LEU . 25.1 m -47.78 -101.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' A' ' 12' ' ' PHE . 13.1 m-20 -124.22 -33.8 3.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.547 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -29.79 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.616 ' N ' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -110.57 -65.77 1.13 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.973 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.85 -38.82 4.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -73.87 -54.93 6.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 0.805 . . . . 0.0 109.352 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . . . -55.96 -35.77 67.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.505 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -69.85 -48.96 56.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -67.37 -38.74 85.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 16.1 mt-30 -71.13 -42.09 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.373 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 16.8 m -61.85 -37.76 85.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.604 1.19 . . . . 0.0 108.345 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.564 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -67.28 -5.62 14.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -112.28 -69.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -47.56 -43.68 25.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.17 . . . . 0.0 110.347 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.515 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 3.2 mt -98.83 -11.52 21.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.55 17.8 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.935 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.612 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -83.08 168.51 22.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.612 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.1 Cg_endo -75.04 119.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.392 1.733 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.43 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 48.0 p-10 -67.06 -1.57 4.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 26' ' ' PRO . 24.2 p -81.29 -42.26 20.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.517 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 12.2 m -65.32 -36.86 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.439 ' N ' HG21 ' A' ' 29' ' ' VAL . 11.9 p -77.68 -33.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 109.25 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -69.88 -18.18 63.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 51.2 t0 -74.75 -31.1 61.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.195 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.48 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -51.77 -38.68 56.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 3' ' ' GLU . 1.6 t80 -73.12 -21.49 60.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.547 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 1.6 t30 -69.74 -73.3 0.16 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 159.61 31.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.615 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -94.76 25.43 4.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 108.004 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 40' ' ' ASP . 2.9 mptt -47.02 -47.71 22.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.519 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 8.6 t70 -48.66 -24.58 1.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.615 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 10.4 t70 -83.13 90.29 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 55.6 t80 -88.56 174.41 8.09 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.559 ' N ' ' CG ' ' A' ' 41' ' ' TYR . 46.5 t -38.39 -30.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' TYR . 7.9 ptt? -42.42 -24.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.55 -57.95 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -129.61 117.34 20.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLY . 1.8 ttt180 -78.58 -39.93 36.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -46.66 -43.11 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.26 -32.58 56.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.38 1.05 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.509 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -79.48 -30.99 42.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.135 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.94 -46.05 17.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.515 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -54.73 -47.26 74.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.406 HG23 ' C ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -59.68 -38.82 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -47.0 87.3 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -64.24 -25.73 68.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 108.246 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.591 HD22 ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -53.19 -34.45 57.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.626 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.39 -12.54 61.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.626 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -17.58 -59.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.405 1.065 . . . . 0.0 110.424 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.527 ' CB ' HG12 ' A' ' 61' ' ' VAL . 11.5 mmtt -111.36 96.12 5.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.673 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -64.13 -15.63 60.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 0.0 109.23 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -69.89 -22.8 63.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.527 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.3 m -82.32 -41.1 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.673 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.59 -45.56 21.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 67' ' ' ASN . 4.6 p30 -122.71 103.43 37.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 -42.06 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.82 1.71 16.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.83 39.52 2.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.586 1.178 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.419 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 53.1 t30 -52.84 -37.86 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.749 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -166.37 -175.95 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 39.6 m170 -146.83 118.91 8.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.54 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.523 ' CG ' ' HB1' ' A' ' 56' ' ' ALA . 10.2 t60 -42.32 140.91 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.539 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.16 -45.3 3.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -125.84 73.5 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.77 131.25 50.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.434 ' C ' ' H ' ' A' ' 76' ' ' PHE . 1.3 mttt -60.64 170.76 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 99.3 m-20 -72.66 5.49 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 74' ' ' LYS . 2.0 t80 -105.56 -29.31 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' C ' ' H ' ' A' ' 79' ' ' LYS . . . -64.24 -78.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.674 ' O ' ' HG2' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.34 42.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.035 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.482 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.6 OUTLIER -145.27 -50.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -6.42 14.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.66 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.93 23.22 2.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' ' 86' ' ' MET . . . -132.62 160.14 37.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -87.63 148.28 24.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -43.12 -27.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.36 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.4 ' N ' ' C ' ' A' ' 83' ' ' ASP . 4.7 t -69.39 -39.45 77.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.519 ' CE ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -47.58 -37.45 12.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.452 ' N ' ' SD ' ' A' ' 86' ' ' MET . . . -52.26 -48.45 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -52.07 5.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 21.7 mm100 -41.01 -62.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.587 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 4.7 mp -49.3 -45.6 45.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -55.43 -17.26 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 109.389 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 30.7 t0 -75.41 -68.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.587 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.15 -47.13 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.532 ' O ' ' CB ' ' A' ' 98' ' ' GLU . 0.9 OUTLIER -52.71 -25.47 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.586 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.0 OUTLIER -75.95 -31.99 59.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.512 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.445 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -90.03 -23.89 31.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.368 1.042 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -89.74 -62.49 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.5 tt0 -44.88 -34.94 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -72.15 -30.89 65.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.55 -8.45 31.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.027 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.25 80.76 12.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.426 ' C ' ' H ' ' A' ' 104' ' ' ASN . 17.9 Cg_endo -75.2 171.37 18.42 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 43.2 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 110.969 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.443 ' CB ' ' HG2' ' A' ' 110' ' ' LYS . 6.7 t-20 -62.15 150.17 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 107' ' ' LYS . 24.0 m-20 -55.18 -21.68 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -83.66 30.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.415 ' H ' ' C ' ' A' ' 105' ' ' ASP . 0.5 OUTLIER -39.72 -29.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.465 ' N ' ' C ' ' A' ' 106' ' ' ASP . 2.8 t -51.16 -49.53 60.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 108.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.477 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 5.7 ttt -103.53 -4.95 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.443 ' HG2' ' CB ' ' A' ' 104' ' ' ASN . 0.4 OUTLIER -88.65 -75.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.383 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.6 m -50.77 -44.91 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.509 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -48.58 -45.74 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.408 1.067 . . . . 0.0 109.264 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.418 ' CG ' ' OH ' ' A' ' 41' ' ' TYR . 2.2 t0 -42.08 -48.32 4.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -76.98 -50.1 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 109.227 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.48 -21.17 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -103.81 -35.29 8.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.92 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 1.2 t -48.57 -51.19 28.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 108.237 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.476 ' CE1' HD23 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -65.31 -37.05 85.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -68.09 -30.56 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.4 OUTLIER -62.73 -31.34 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.375 1.047 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -58.93 -28.89 66.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.252 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.564 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.6 mm -78.55 -37.81 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.519 ' CD2' ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -46.86 -20.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.669 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.466 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 1.6 mtmp? -96.87 27.67 3.87 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.664 HD11 ' N ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -44.93 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 126' ' ' ASN . 2.9 t30 -106.15 -3.19 21.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.605 ' CD2' ' CD1' ' A' ' 125' ' ' LEU . 1.4 m0 -88.82 154.19 20.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.046 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 6.3 p -97.85 118.11 64.35 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.466 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.1 Cg_endo -75.04 51.08 2.71 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.489 1.783 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -42.86 -26.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.433 ' N ' ' C ' ' A' ' 129' ' ' PRO . 4.8 ttp -93.09 101.55 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 133' ' ' LEU . 6.0 p-10 -128.17 126.31 40.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.499 ' C ' ' O ' ' A' ' 132' ' ' ASP . 0.0 OUTLIER -31.97 120.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.385 1.053 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.65 8.51 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.408 1.068 . . . . 0.0 109.359 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.488 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -97.05 -11.42 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.78 32.55 21.19 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.447 1.092 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -103.71 134.46 46.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.26 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.2 m -66.44 110.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.426 HD12 ' CD2' ' A' ' 41' ' ' TYR . 10.1 tp -176.57 -75.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.471 ' CB ' HD13 ' A' ' 133' ' ' LEU . . . -78.44 165.46 23.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.198 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.4 89.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.471 ' CA ' HD12 ' A' ' 133' ' ' LEU . 8.4 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -166.8 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.457 1.767 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -55.79 -25.84 43.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.8 mm -50.25 -37.8 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -19.5 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -111.32 104.87 13.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -120.28 138.53 53.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.528 ' CG ' ' HB2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -70.99 -169.36 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.241 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.44 ' HG ' ' N ' ' A' ' 10' ' ' ASN . 30.1 t -49.48 -101.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 12' ' ' PHE . 10.4 m-20 -124.54 -32.77 3.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.556 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -27.79 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.721 ' CD2' ' CE ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -108.07 -63.94 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.39 -37.87 3.66 Favored Glycine 0 CA--C 1.532 1.123 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -74.48 -53.16 10.07 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.578 0.811 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -56.5 -37.05 69.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 109.263 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.721 ' CE ' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -69.41 -47.85 62.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.63 -41.93 87.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 109.247 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.2 mt-30 -69.03 -41.26 77.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 110.217 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.482 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 10.0 m -61.82 -36.86 82.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 108.33 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -67.47 -5.89 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.24 -69.13 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.482 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -46.53 -43.75 17.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.8 OUTLIER -99.06 -11.82 21.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.559 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.0 m 52.35 16.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.608 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -83.34 168.22 23.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.608 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.94 121.91 6.9 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' HG11 ' A' ' 30' ' ' VAL . 33.3 p-10 -68.61 -1.97 7.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 p -81.7 -39.58 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.519 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 29.3 m -63.98 -36.51 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.468 HG11 ' O ' ' A' ' 27' ' ' ASP . 8.8 p -77.88 -33.3 18.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -71.93 -17.86 62.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.564 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 50.0 t0 -76.52 -29.75 56.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.447 HD21 ' NE1' ' A' ' 37' ' ' TRP . 10.5 mt -50.81 -42.77 58.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -20.4 60.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.552 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -67.18 -73.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER 159.8 29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.564 ' CG ' ' CG ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -95.57 27.25 3.5 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 14.7 mttm -44.69 -56.69 4.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 1.177 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.614 ' CB ' ' CD2' ' A' ' 123' ' ' HIS . 0.7 OUTLIER -47.23 -25.38 0.92 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.381 1.051 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.525 ' OD1' ' CZ3' ' A' ' 37' ' ' TRP . 13.5 t0 -98.74 53.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 38' ' ' LYS . 5.1 m-85 -80.37 -170.39 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' TYR . 2.4 p -33.93 -35.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.1 ttm -43.6 -24.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.403 1.065 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -118.76 -49.14 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -124.24 98.65 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.487 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -58.76 -40.27 83.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -43.18 19.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.226 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.37 -33.01 65.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -80.97 -28.66 44.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.57 -44.65 20.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.486 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -58.39 -47.06 85.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.431 HG21 ' N ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -60.79 -39.17 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.359 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.431 ' N ' HG21 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -59.04 -45.65 90.22 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -68.37 -26.62 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 108.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.569 ' CD2' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -52.64 -35.05 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -70.6 -13.07 61.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.71 -58.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 17.0 mmtt -111.39 102.76 11.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.556 HD22 ' CD2' ' A' ' 69' ' ' HIS . 1.1 mp -72.33 -17.75 61.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.66 -32.71 74.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 58' ' ' LYS . 23.6 m -85.92 -38.21 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.455 ' N ' HG23 ' A' ' 61' ' ' VAL . 1.4 t -72.0 -42.04 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.473 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -133.4 108.19 12.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -42.24 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -111.42 3.6 18.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.473 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.96 46.9 1.83 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -52.53 -36.93 56.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 109.389 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.732 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -173.05 -175.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.556 ' CD2' HD22 ' A' ' 59' ' ' LEU . 28.4 m80 -146.76 117.33 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.65 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.495 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 15.6 p-80 -39.28 140.92 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.476 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.88 -45.16 3.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.427 1.08 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -128.24 81.93 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.85 131.27 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -60.55 170.76 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.387 1.054 . . . . 0.0 109.225 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 79' ' ' LYS . 12.2 m-20 -71.68 2.25 5.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 109.364 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.411 ' H ' ' C ' ' A' ' 74' ' ' LYS . 1.3 m-85 -90.06 -45.9 8.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.075 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.555 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -60.74 -58.74 7.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.215 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.481 ' CE ' ' HB2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -80.26 41.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.951 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.481 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 4.4 tptp -155.35 -48.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.555 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 1.8 p-80 -64.81 -6.94 9.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -152.49 22.11 0.83 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.456 ' HB2' ' C ' ' A' ' 78' ' ' MET . . . -134.01 138.46 45.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.449 ' N ' ' HB3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -69.32 151.02 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -43.86 -34.35 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 t -80.49 -42.72 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.41 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.449 ' HB3' ' N ' ' A' ' 83' ' ' ASP . 9.1 tpp -53.86 -43.27 69.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.86 -47.65 64.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.74 -38.95 64.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.234 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 9.7 mt-30 -49.78 -53.07 27.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.581 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 12.8 mt -47.52 -48.09 27.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.493 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 3.5 t -53.63 -18.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 2.1 m-20 -74.88 -68.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.581 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.84 -46.97 87.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.522 ' O ' ' CB ' ' A' ' 98' ' ' GLU . 1.0 OUTLIER -51.99 -24.96 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.381 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.52 -29.73 56.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.553 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.85 -24.91 31.12 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 100' ' ' SER . 8.8 m -90.54 -61.66 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 3.1 tt0 -45.83 -32.86 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.57 -30.68 61.81 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.408 1.067 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.562 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.65 -7.43 40.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 109.99 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.91 80.7 9.1 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.04 171.54 18.12 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 43.14 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.008 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.459 ' CB ' ' HG2' ' A' ' 110' ' ' LYS . 10.6 t-20 -62.03 150.44 38.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.623 1.202 . . . . 0.0 109.37 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 107' ' ' LYS . 77.3 m-20 -52.29 -25.16 8.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -84.36 28.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -40.31 -29.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.451 ' N ' ' C ' ' A' ' 106' ' ' ASP . 4.7 t -54.43 -49.91 68.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 106' ' ' ASP . 6.2 ptm -102.95 -4.3 24.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.459 ' HG2' ' CB ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -89.23 -79.29 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.6 m -48.88 -44.79 40.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.483 ' CG2' ' HA ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -48.04 -47.64 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 1.7 t0 -38.91 -56.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.509 ' HA ' ' HB2' ' A' ' 117' ' ' CYS . 1.5 p -77.96 -47.7 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.71 -25.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.346 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.481 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -99.59 -31.03 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.989 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.509 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 7.2 t -40.43 -49.09 2.84 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.153 . . . . 0.0 108.277 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -67.22 -44.22 80.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -59.06 -30.42 68.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.464 ' HG3' ' CD2' ' A' ' 41' ' ' TYR . 13.1 mttt -65.26 -27.08 68.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -57.21 -34.11 68.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 122' ' ' ILE . 1.3 mm -67.7 -39.88 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.614 ' CD2' ' CB ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -50.03 -16.3 0.28 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 0.0 109.58 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.491 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -95.85 24.16 5.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.667 HD11 ' N ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -43.82 -95.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -108.83 -4.53 16.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.572 1.17 . . . . 0.0 109.378 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.594 ' CD2' ' CD1' ' A' ' 125' ' ' LEU . 0.4 OUTLIER -92.06 157.41 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 22.0 m -100.48 117.72 62.38 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.1 Cg_endo -75.08 51.34 2.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.6 p30 -39.51 -30.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.455 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -101.34 100.76 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.474 ' HB2' ' CA ' ' A' ' 141' ' ' GLU . 0.4 OUTLIER -126.44 96.18 4.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.62 ' O ' ' CD2' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -176.19 105.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.469 ' CG2' HD11 ' A' ' 135' ' ' ILE . 11.6 m -116.31 -14.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.469 HD11 ' CG2' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -107.41 -20.79 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.91 23.11 75.94 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.4 174.73 9.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 0.779 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 16.1 m -65.38 102.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.5 -64.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 132' ' ' ASP . . . -74.36 167.22 22.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.474 ' CA ' ' HB2' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -73.63 85.16 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -163.06 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.419 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 3.9 mt-10 -54.74 -25.53 28.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.257 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 4.6 mm -56.64 -36.68 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.19 0.33 56.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -121.8 105.1 10.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 6.3 p-10 -123.57 146.91 47.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 11' ' ' ASN . 1.4 tt -62.0 -179.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.7 m -49.3 -92.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.516 ' CB ' ' HB2' ' A' ' 14' ' ' LYS . 32.7 m-20 -120.89 -35.77 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.483 ' ND2' ' CD1' ' A' ' 12' ' ' PHE . 3.7 t30 -38.32 -30.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.614 ' CD1' HD13 ' A' ' 55' ' ' LEU . 4.5 m-30 -113.69 -71.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.35 -34.84 3.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.138 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 15.4 ttpt -78.68 -53.79 6.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 11' ' ' ASN . . . -55.79 -44.32 77.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.47 ' N ' ' HE1' ' A' ' 16' ' ' MET . 30.7 mmt -67.38 -38.93 85.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.07 -35.39 74.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 9.6 mt-30 -61.47 -45.11 95.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' LEU . 5.2 m -58.58 -43.45 89.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 108.312 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' CD ' ' HB3' ' A' ' 27' ' ' ASP . 0.5 OUTLIER -56.1 -13.92 2.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -110.45 -71.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 5.0 pt-20 -57.65 -34.52 69.44 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.582 1.177 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.497 ' CD2' ' HG3' ' A' ' 22' ' ' GLU . 3.9 mm? -98.42 -12.63 21.19 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.431 1.082 . . . . 0.0 109.386 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER 46.0 20.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.594 1.184 . . . . 0.0 110.03 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.593 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -88.64 166.73 21.34 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.593 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -75.05 122.78 7.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' HB3' ' CD ' ' A' ' 20' ' ' LYS . 20.1 p-10 -68.45 1.1 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 26' ' ' PRO . 14.3 p -83.51 -40.94 18.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.482 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 15.6 m -65.4 -37.9 81.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.473 HG21 ' C ' ' A' ' 27' ' ' ASP . 34.1 m -70.11 -30.49 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.5 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.06 -23.35 64.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -63.56 -32.51 74.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.23 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.608 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -50.73 -47.09 59.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.518 ' OH ' ' CD2' ' A' ' 12' ' ' PHE . 81.2 m-85 -58.94 -24.19 62.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 1.4 t-20 -77.47 -73.21 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER 158.62 42.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.658 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.92 19.65 6.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 107.935 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.622 ' C ' ' CD2' ' A' ' 123' ' ' HIS . 1.5 mttt -46.91 -59.5 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.49 ' CA ' ' HB3' ' A' ' 123' ' ' HIS . 6.9 t70 -48.05 -26.47 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.259 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.588 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 3.4 t70 -69.66 88.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.49 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 3.8 m-85 -72.85 162.04 29.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CB ' ' HA ' ' A' ' 46' ' ' ARG . 32.6 m -40.72 -29.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.433 ' N ' ' C ' ' A' ' 41' ' ' TYR . 4.2 ptt? -41.15 -26.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -113.13 -50.18 2.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -133.91 91.39 2.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' GLY . 3.6 ttm-85 -71.54 -38.98 70.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.487 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -48.94 -43.86 40.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.92 -26.25 64.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.5 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.1 -29.52 37.43 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -87.92 -38.92 15.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.479 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . . . -63.5 -48.72 76.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.418 HD11 ' HB2' ' A' ' 55' ' ' LEU . 1.9 tp -48.64 -36.75 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.08 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 50' ' ' CYS . 0.5 OUTLIER -55.48 -38.88 69.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.598 ' O ' ' CG2' ' A' ' 57' ' ' THR . 3.3 m -54.89 -29.78 56.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD13 ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -52.2 -32.34 35.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.254 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.608 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.47 -17.14 60.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.608 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -19.54 -61.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.489 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 6.9 mmtt -114.75 104.86 12.38 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.423 1.077 . . . . 0.0 109.236 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.556 HD22 ' CD2' ' A' ' 69' ' ' HIS . 1.2 mp -70.65 -20.37 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 109.345 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -35.04 79.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 58' ' ' LYS . 27.4 m -84.97 -37.88 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.38 1.05 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.482 ' N ' HG23 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -68.36 -45.21 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 2.7 p30 -127.1 103.92 22.99 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 -42.67 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.628 1.857 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.1 4.26 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.42 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.75 43.18 2.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 111.04 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 0.4 OUTLIER -51.12 -39.52 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.748 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.42 -174.28 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 0.0 109.354 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.556 ' CD2' HD22 ' A' ' 59' ' ' LEU . 48.4 m80 -146.12 117.37 7.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.652 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -42.1 139.37 1.37 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 109.589 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.467 ' HA2' ' CG2' ' A' ' 111' ' ' THR . . . 79.8 -46.21 3.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -126.33 83.46 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.55 130.6 44.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.434 ' O ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -60.43 169.39 1.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.443 ' O ' ' HE1' ' A' ' 78' ' ' MET . 1.0 OUTLIER -72.62 5.86 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' H ' ' C ' ' A' ' 74' ' ' LYS . 31.7 m-85 -105.05 -29.12 10.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 79' ' ' LYS . . . -65.78 -77.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.636 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.24 42.97 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 111.0 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 77' ' ' ALA . 4.8 tmtt? -143.64 -55.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.38 -6.42 18.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.64 43.31 0.69 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.43 1.081 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.591 ' CB ' ' HG2' ' A' ' 86' ' ' MET . . . -130.56 154.67 47.59 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 0.798 . . . . 0.0 109.386 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -96.35 143.99 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.22 -31.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.0 t -74.35 -42.32 59.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.591 ' HG2' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.74 -23.59 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -59.47 -53.28 59.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.471 ' HA ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -91.68 -44.44 9.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.216 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 92' ' ' ASP . 25.1 mm100 -42.93 -59.24 2.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.456 1.097 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.598 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 8.4 mp -45.49 -45.79 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.546 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.4 t -52.58 -16.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 89' ' ' GLN . 6.4 m-20 -77.55 -69.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.41 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.598 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.08 -47.22 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.491 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.1 mt -51.64 -24.45 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.602 1.189 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.37 -32.29 58.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.551 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.24 -23.13 35.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -87.41 -64.18 1.19 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.56 -35.54 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.427 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 19.1 pttt -72.0 -31.08 65.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.5 -7.13 38.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.088 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -116.03 82.98 11.66 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.53 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.95 175.37 11.31 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.515 1.797 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 45.12 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.477 1.777 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.29 143.84 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 107' ' ' LYS . 21.5 m-20 -55.88 -20.71 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 109' ' ' MET . 1.0 OUTLIER -82.28 30.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 111' ' ' THR . 5.9 pttt -40.67 -27.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' ASP . 10.3 t -62.04 -51.89 66.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.37 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.503 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -91.4 -12.14 35.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.53 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.8 OUTLIER -90.14 -67.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 12.9 m -40.93 -45.25 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.5 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -47.44 -47.29 10.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.318 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 4.5 t0 -41.61 -53.82 3.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.489 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -80.48 -56.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.27 -23.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -102.78 -36.74 8.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 4.7 t -40.14 -54.14 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 108.351 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.596 ' CE1' HD23 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -66.67 -35.17 79.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.479 ' O ' ' CE1' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -69.22 -36.03 76.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.654 ' HA ' ' CD2' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -58.44 -31.05 67.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.426 ' OE2' ' CG ' ' A' ' 141' ' ' GLU . 8.5 mm-40 -60.43 -28.85 68.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.56 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.7 mm -82.3 -38.18 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.654 ' CD2' ' HA ' ' A' ' 120' ' ' LYS . 1.1 m-70 -47.95 -19.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.567 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -96.97 27.06 4.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.356 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.638 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.37 -95.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 126' ' ' ASN . 3.4 t30 -98.52 -3.71 35.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.519 ' CE2' HD12 ' A' ' 125' ' ' LEU . 1.7 m0 -90.03 153.76 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 107.997 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.2 m -108.96 117.32 54.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.463 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.3 Cg_endo -75.08 52.21 3.02 Favored 'Trans proline' 0 C--N 1.362 1.256 0 O-C-N 124.448 1.762 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 129' ' ' PRO . 5.3 t30 -39.92 -28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.244 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.463 ' N ' ' C ' ' A' ' 129' ' ' PRO . 4.3 tpp -93.2 101.17 13.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 133' ' ' LEU . 0.4 OUTLIER -122.89 127.19 48.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.557 ' CD2' ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -34.4 114.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.242 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 5.4 p -116.64 6.1 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.517 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -101.77 -5.05 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.235 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.38 29.13 28.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -113.34 134.85 54.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 110.341 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 16.7 m -73.52 122.45 26.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.1 -41.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -111.12 165.24 12.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.426 ' CG ' ' OE2' ' A' ' 121' ' ' GLU . 8.2 tm-20 -72.29 91.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.401 1.063 . . . . 0.0 110.306 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.494 ' C ' ' CD1' ' A' ' 133' ' ' LEU . 48.3 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.408 1.068 . . . . 0.0 109.257 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -165.3 0.28 Allowed 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.406 1.74 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 1.3 mm-40 -54.91 -25.54 29.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.402 HD11 ' O ' ' A' ' 31' ' ' ALA . 5.1 mm -54.6 -38.66 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.22 1.99 42.02 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 111.09 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.595 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -109.35 106.12 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.231 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.9 p-10 -130.81 139.56 50.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 11' ' ' ASN . 1.5 tt -62.25 177.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -49.48 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 12' ' ' PHE . 3.9 m-20 -120.78 -38.72 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 8' ' ' LEU . 2.9 t30 -36.24 -32.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 10' ' ' ASN . 1.2 t80 -113.59 -67.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.55 -33.9 3.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 1.3 tmmt? -79.24 -53.32 7.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.606 0.827 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 19' ' ' CYS . . . -58.94 -44.3 91.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.524 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 27.3 mmt -64.51 -38.33 90.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.22 -48.57 33.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 12.8 mt-30 -66.01 -39.68 90.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.496 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 29.5 m -61.2 -37.05 81.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 108.34 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.548 ' O ' ' HA ' ' A' ' 24' ' ' SER . 5.9 ttpt -66.58 -5.5 11.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -69.47 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.623 1.202 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.496 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -45.75 -45.42 14.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.225 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.543 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -97.82 -11.86 22.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 51.37 18.24 0.62 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.068 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.611 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -81.47 167.9 28.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.395 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.611 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.4 Cg_endo -74.95 118.57 5.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.496 ' HA ' ' CG2' ' A' ' 30' ' ' VAL . 49.2 p-10 -66.94 -2.16 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.224 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 26' ' ' PRO . 15.8 p -81.78 -40.0 23.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.537 ' O ' ' CZ3' ' A' ' 37' ' ' TRP . 31.3 m -64.25 -36.86 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.191 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.496 ' CG2' ' HA ' ' A' ' 27' ' ' ASP . 3.0 m -80.26 -32.45 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -68.79 -17.54 64.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.592 1.182 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -22.47 57.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.589 HD11 ' CG ' ' A' ' 37' ' ' TRP . 8.1 mp -49.94 -50.44 46.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -54.51 -20.54 7.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.433 ' C ' ' CD2' ' A' ' 36' ' ' PHE . 1.4 t-20 -85.99 -71.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CD2' ' C ' ' A' ' 35' ' ' ASN . 2.5 p90 -176.32 69.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.695 ' CZ2' ' CB ' ' A' ' 48' ' ' ALA . 12.0 t-105 -92.13 -3.21 55.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 108.073 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.8 -58.51 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.597 ' CB ' ' CD2' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -68.03 -32.22 72.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.387 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.64 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.9 t0 -68.21 100.95 1.09 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.463 ' C ' ' N ' ' A' ' 43' ' ' MET . 26.2 t80 -101.22 163.11 12.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.43 ' C ' ' N ' ' A' ' 44' ' ' THR . 92.2 t -40.24 -28.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.463 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -43.73 -23.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.955 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.43 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -107.32 -55.98 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -136.72 115.63 12.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -77.11 -38.28 52.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.484 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.22 -43.55 21.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.695 ' CB ' ' CZ2' ' A' ' 37' ' ' TRP . . . -55.97 -32.35 63.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.526 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -81.19 -23.3 59.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.656 1.222 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -88.14 -43.95 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.543 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -63.78 -48.64 76.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.438 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -50.33 -47.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -42.34 78.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.538 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.5 OUTLIER -57.93 -29.29 65.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.48 HD12 ' CE1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -53.28 -33.11 51.82 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.618 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -74.76 -13.82 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.618 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -18.53 -59.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.532 ' CB ' HG12 ' A' ' 61' ' ' VAL . 6.3 mttm -112.49 92.48 4.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.361 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.625 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -57.97 -16.16 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.77 -24.11 64.39 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.503 1.127 . . . . 0.0 109.38 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.532 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.4 m -80.06 -41.97 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.625 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.63 -45.65 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.8 p-10 -122.99 104.03 36.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -42.09 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.24 0.7 15.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.46 39.33 2.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -53.51 -37.96 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 109.257 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.717 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -166.34 -174.97 3.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 40.4 m170 -146.01 120.37 9.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.52 ' CG ' ' CB ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -45.04 143.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.587 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.71 -45.27 2.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -127.69 75.83 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.15 129.67 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -61.38 171.13 1.51 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 79' ' ' LYS . 70.0 m-20 -71.11 0.81 6.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.21 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.448 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 4.9 t80 -91.42 -40.53 11.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.514 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -63.52 -58.98 5.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -81.36 39.59 0.53 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 111.06 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.2 tmtp? -154.76 -53.23 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.514 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -65.67 -6.96 12.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.632 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.87 23.74 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.59 160.15 36.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.89 141.14 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -45.2 -34.46 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.44 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 10.7 t -80.47 -45.68 17.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.451 ' O ' HD11 ' A' ' 90' ' ' LEU . 1.8 ttp -54.09 -42.81 69.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.26 -47.12 69.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.458 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.5 OUTLIER -75.95 -47.36 25.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 92' ' ' ASP . 20.6 mm100 -44.06 -55.17 4.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.597 1.186 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.679 ' CD2' ' CE1' ' A' ' 118' ' ' PHE . 1.9 mp -46.16 -45.97 16.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.574 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 7.2 t -52.98 -16.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 89' ' ' GLN . 46.6 t0 -76.44 -69.2 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.587 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.33 -47.03 85.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.531 ' O ' ' CB ' ' A' ' 98' ' ' GLU . 1.1 mt -52.26 -24.68 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.218 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.6 m170 -77.02 -28.69 55.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -92.22 -25.6 21.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 100' ' ' SER . 4.6 m -90.67 -65.07 1.05 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -45.75 -31.6 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.363 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 95' ' ' HIS . 3.0 pttt -75.93 -30.6 58.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.561 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.26 -9.35 36.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -118.13 79.63 14.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.429 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.95 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.645 1.866 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 42.92 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 107' ' ' LYS . 3.4 t-20 -61.57 150.57 35.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.2 -29.13 5.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.327 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 109' ' ' MET . 8.9 m-20 -84.65 28.04 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' ASN . 19.9 pttm -40.4 -29.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 106' ' ' ASP . 1.8 t -51.98 -48.34 64.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.478 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 1.3 ttp -103.01 -4.0 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 1.0 OUTLIER -89.36 -79.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.324 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.1 m -48.13 -44.44 32.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.526 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -47.09 -47.51 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 1.3 t0 -39.9 -57.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.463 ' HA ' ' HB2' ' A' ' 117' ' ' CYS . 1.5 p -76.98 -48.64 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -45.63 -26.16 0.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.465 ' CG ' HD12 ' A' ' 112' ' ' ILE . 1.8 mmt -103.11 -31.95 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.463 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 8.8 t -42.38 -55.24 3.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.679 ' CE1' ' CD2' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -66.28 -34.52 78.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 111.006 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -57.16 -30.2 64.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.185 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -67.75 -32.91 73.85 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -59.17 -29.19 67.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.559 HD13 ' CE1' ' A' ' 118' ' ' PHE . 3.0 mm -63.7 -39.35 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.597 ' CD2' ' CB ' ' A' ' 39' ' ' ASP . 14.8 t60 -49.29 -20.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.508 ' O ' ' O ' ' A' ' 125' ' ' LEU . 5.0 mttm -97.97 27.0 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.592 ' CD1' ' CE2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.26 -99.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.46 ' N ' HD11 ' A' ' 125' ' ' LEU . 9.5 t30 -98.23 -31.05 12.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.592 ' CE2' ' CD1' ' A' ' 125' ' ' LEU . 4.2 p-90 -103.48 134.56 46.64 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.629 1.206 . . . . 0.0 107.988 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.9 p -93.92 113.87 61.65 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.591 ' HG3' ' CD2' ' A' ' 123' ' ' HIS . 18.2 Cg_endo -75.0 49.33 2.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -41.77 -30.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.441 ' O ' ' CG ' ' A' ' 131' ' ' MET . 0.0 OUTLIER -94.75 108.61 20.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -129.22 119.12 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.568 ' CD2' ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.51 109.79 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.3 p -116.92 -5.56 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.476 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.57 -20.33 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.25 23.76 58.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.559 1.162 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -123.58 173.98 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -75.43 117.78 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.397 1.06 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 177.4 -49.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -103.85 162.34 13.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.601 1.188 . . . . 0.0 109.238 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.25 90.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.235 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -167.09 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.442 1.759 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -25.96 48.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.2 mm -50.63 -40.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -25.21 63.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.62 109.57 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -116.04 138.07 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.587 ' CD1' ' HB2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -72.26 -164.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.496 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 29.7 t -52.78 -105.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.632 ' O ' ' N ' ' A' ' 12' ' ' PHE . 5.2 m-20 -130.26 -30.2 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.603 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -23.35 -44.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.658 ' CD2' ' CD1' ' A' ' 55' ' ' LEU . 20.3 m-85 -107.82 -62.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CE ' ' A' ' 16' ' ' MET . . . -41.04 -32.21 0.56 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.395 1.06 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -80.2 -51.29 9.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -60.81 -45.06 95.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.592 ' HE1' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -65.36 -35.92 82.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.401 1.063 . . . . 0.0 110.947 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.592 ' N ' ' HE1' ' A' ' 16' ' ' MET . 7.4 t0 -70.87 -49.23 48.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.236 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.459 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.7 mt-30 -68.68 -31.49 70.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 2.5 m -65.89 -35.73 81.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.345 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.3 OUTLIER -67.24 -5.39 13.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.507 1.13 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 -68.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.464 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -48.47 -42.87 33.94 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.511 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 2.2 mt -98.71 -11.73 21.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.545 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.63 17.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.948 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.627 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -82.05 167.42 30.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.627 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.5 Cg_endo -75.05 119.19 5.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.797 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.481 ' O ' HG21 ' A' ' 30' ' ' VAL . 54.9 p-10 -68.48 0.08 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 26' ' ' PRO . 4.0 p -81.61 -39.88 23.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.933 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.428 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 14.5 m -64.74 -37.14 79.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.483 HG13 ' CB ' ' A' ' 51' ' ' ALA . 13.4 m -74.96 -32.37 27.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -68.78 -19.05 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.535 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 2.0 t0 -69.43 -25.26 64.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.618 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -57.82 -49.06 77.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.392 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -21.13 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.55 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 1.2 m120 -82.54 -72.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 35' ' ' ASN . 0.0 OUTLIER 160.84 41.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.656 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -92.16 19.01 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 108.061 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.642 ' O ' ' CE2' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -43.44 -58.2 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HA ' ' CG ' ' A' ' 123' ' ' HIS . 26.8 p-10 -47.4 -35.32 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.506 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 15.1 t0 -84.41 81.91 8.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.642 ' CE2' ' O ' ' A' ' 38' ' ' LYS . 72.3 m-85 -98.92 -172.69 2.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' TYR . 18.0 m -35.86 -34.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.163 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.3 ptp -40.8 -25.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -120.81 -49.4 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 110.442 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.46 99.35 5.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -62.53 -43.68 98.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.494 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.47 -43.39 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.39 64.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.517 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -80.35 -30.81 39.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.049 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.31 -45.48 19.59 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -56.54 -48.49 77.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -56.47 -38.69 57.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.532 1.145 . . . . 0.0 109.389 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.426 ' N ' HG21 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -60.22 -45.58 92.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.4 OUTLIER -63.02 -26.73 68.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 1.189 . . . . 0.0 108.294 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.658 ' CD1' ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -51.95 -34.91 44.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.61 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -68.4 -14.28 62.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.61 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -19.9 -57.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.512 ' CB ' HG12 ' A' ' 61' ' ' VAL . 7.5 mmtt -111.79 87.78 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.638 1.211 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.579 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -54.99 -17.74 4.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -67.05 -23.22 65.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.375 1.047 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.512 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.8 m -79.72 -42.09 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.579 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.77 -46.25 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -124.4 110.43 28.49 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.396 1.06 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -41.08 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.787 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.45 3.2 17.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 100.64 45.62 1.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -53.0 -35.77 59.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 0.787 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.725 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.13 -173.57 1.8 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 109.39 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.411 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 18.9 m-70 -143.41 116.68 9.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.605 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.516 ' CG ' ' HB1' ' A' ' 56' ' ' ALA . 5.4 t60 -40.92 141.58 0.58 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.557 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.07 -45.33 3.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -128.54 82.77 2.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 0.72 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.49 130.05 41.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.55 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -61.67 171.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.462 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 4.0 m-20 -71.04 1.6 5.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.55 ' CE2' ' HG2' ' A' ' 74' ' ' LYS . 9.1 m-85 -91.35 -44.06 9.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -61.43 -58.93 6.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -80.21 39.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.464 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 12.9 tttt -154.13 -54.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.61 1.194 . . . . 0.0 109.203 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.459 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -67.61 -6.22 19.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.591 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.74 25.0 0.73 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.145 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.06 134.34 46.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.93 143.71 52.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -42.77 -34.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 10.9 t -80.45 -43.48 20.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.421 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 7.8 ttm -52.82 -43.14 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.17 -46.99 65.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.443 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.2 OUTLIER -74.73 -43.28 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.235 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.0 mm100 -47.33 -54.55 10.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.552 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 13.4 mt -46.51 -47.74 19.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.388 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.584 HG13 ' CD2' ' A' ' 95' ' ' HIS . 4.0 t -52.87 -18.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 33.1 t0 -74.55 -68.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.552 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.83 -46.63 88.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.437 1.086 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.47 ' CG1' HD12 ' A' ' 93' ' ' ILE . 1.1 mt -51.98 -24.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.584 ' CD2' HG13 ' A' ' 91' ' ' VAL . 1.2 m170 -76.11 -30.57 58.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -87.7 -24.03 37.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -87.68 -63.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.65 -35.58 4.22 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 2.5 pttt -71.61 -31.31 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.32 -6.84 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.996 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.68 84.7 12.92 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.582 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.5 Cg_endo -74.94 175.92 10.58 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.93 46.38 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.42 143.09 58.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -56.18 -19.53 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.246 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.2 OUTLIER -81.56 31.27 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.471 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -41.67 -25.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.398 1.061 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.462 ' N ' ' C ' ' A' ' 106' ' ' ASP . 32.3 t -61.5 -51.31 69.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 3.1 ptm -98.51 -9.02 25.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.582 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.49 -69.15 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.415 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 7.1 m -49.14 -43.36 41.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.517 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -48.37 -47.38 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.422 1.076 . . . . 0.0 109.212 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -41.75 -53.19 3.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.381 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.431 ' CG2' ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -74.84 -49.13 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.12 -22.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.581 ' HG3' ' CD1' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -103.46 -36.86 7.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 3.5 t -40.23 -45.94 2.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.414 1.072 . . . . 0.0 108.254 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.1 OUTLIER -66.99 -50.92 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -30.19 70.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.602 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -59.15 -28.58 66.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -60.37 -29.78 69.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.548 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.7 mm -75.94 -38.79 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.595 ' CE1' ' HG3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -48.3 -18.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.663 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.471 ' N ' ' C ' ' A' ' 122' ' ' ILE . 39.5 mttt -95.95 25.64 4.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.623 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -44.12 -94.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.429 ' N ' HD11 ' A' ' 125' ' ' LEU . 10.4 t30 -96.14 -22.03 17.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.606 ' CD1' ' N ' ' A' ' 127' ' ' TRP . 0.0 OUTLIER -90.48 138.7 31.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 30.8 m -121.28 117.06 30.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.595 ' HG3' ' CE1' ' A' ' 123' ' ' HIS . 18.1 Cg_endo -75.04 51.48 2.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 129' ' ' PRO . 2.7 t30 -39.06 -31.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.438 ' N ' ' C ' ' A' ' 129' ' ' PRO . 6.3 mtt -104.38 100.39 10.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.78 114.3 15.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.549 ' CD2' ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -63.05 112.02 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.448 ' CG1' HD11 ' A' ' 135' ' ' ILE . 6.1 p -116.07 -11.8 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.478 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.39 -20.33 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.88 30.26 43.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -121.14 168.71 11.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 0.743 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 34.1 m -65.85 106.62 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 tt -176.14 -45.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.471 ' CB ' ' N ' ' A' ' 133' ' ' LEU . . . -106.72 164.84 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.98 91.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 -167.05 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.558 1.82 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.571 ' OE2' ' CE1' ' A' ' 34' ' ' TYR . 19.9 mm-40 -55.47 -25.73 38.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.248 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 5.3 mm -52.08 -37.64 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.55 -14.92 19.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.9 104.59 12.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 7.0 p-10 -121.4 151.11 40.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.461 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 0.5 OUTLIER -59.77 176.29 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 m -49.98 -91.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' PHE . 7.1 m-20 -118.09 -36.7 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 0.6 OUTLIER -35.14 -34.33 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 10' ' ' ASN . 15.4 m-85 -115.17 -67.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.423 ' HA3' ' ND2' ' A' ' 7' ' ' ASN . . . -43.13 -34.11 2.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 2.0 tmmt? -80.2 -51.14 9.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.409 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . -58.5 -43.19 88.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.552 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 15.4 mmt -68.73 -39.57 80.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -69.05 -48.61 62.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 14.8 mt-30 -66.04 -36.06 82.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.453 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 10.7 m -62.48 -36.29 82.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 108.33 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -66.98 -6.9 18.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -68.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.364 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -48.48 -42.48 32.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 4.2 mt -98.35 -12.12 21.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.371 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 51.27 16.92 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.613 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -82.53 166.13 38.1 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.613 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -75.03 119.54 5.68 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.519 1.8 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.434 ' O ' HG21 ' A' ' 30' ' ' VAL . 46.7 p-10 -68.08 -0.26 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 26' ' ' PRO . 22.6 p -82.03 -41.2 21.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.453 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 11.4 m -65.35 -36.72 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.47 HG13 ' CB ' ' A' ' 51' ' ' ALA . 34.2 m -76.42 -31.83 21.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.488 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.44 -16.14 63.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.415 ' HB3' ' CB ' ' A' ' 37' ' ' TRP . 23.5 t0 -79.29 -26.59 42.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.575 ' HG ' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -50.54 -50.58 52.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.571 ' CE1' ' OE2' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -61.44 -21.51 64.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.85 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.211 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.4 p90 174.11 44.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.589 ' O ' ' CD2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.4 0.83 57.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -44.79 -55.19 5.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.478 ' CA ' ' HB2' ' A' ' 123' ' ' HIS . 7.9 t70 -56.13 -35.47 67.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.557 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 11.9 t0 -71.48 83.21 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.513 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 69.8 t80 -82.09 173.91 11.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.513 ' N ' ' CG ' ' A' ' 41' ' ' TYR . 39.4 t -39.59 -30.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.448 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.7 OUTLIER -41.38 -26.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.438 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -114.8 -54.77 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.82 102.89 6.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -65.53 -42.81 91.56 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.571 1.169 . . . . 0.0 110.256 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.509 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -48.21 -43.33 31.92 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.591 1.182 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . . . -56.54 -28.65 60.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.503 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.4 -27.54 43.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.105 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.55 -46.54 9.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.482 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -54.47 -47.96 72.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -54.19 -48.58 66.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.437 ' N ' HG21 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -58.44 -42.36 87.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.393 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.539 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.1 OUTLIER -58.38 -24.85 61.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 0.8 OUTLIER -52.48 -34.22 48.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.621 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.4 -12.82 60.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.621 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -17.68 -60.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 9.0 mmtm -113.27 103.35 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 56' ' ' ALA . 1.2 mp -71.43 -19.83 62.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.28 -34.89 79.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 58' ' ' LYS . 31.2 m -84.37 -38.43 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.46 ' N ' HG23 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -68.75 -44.85 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.459 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -129.72 107.68 17.03 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.447 1.761 . . . . 0.0 111.046 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -110.56 4.27 20.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.459 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.96 47.25 1.93 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -52.04 -37.65 54.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.736 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.07 -174.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.536 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 17.0 m-70 -146.39 116.16 7.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.593 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -39.72 141.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.63 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.48 -44.95 2.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -130.32 85.19 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.58 130.21 42.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 171.6 1.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.514 1.134 . . . . 0.0 109.204 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.491 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 2.3 m-20 -70.8 0.59 6.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -87.1 -46.31 9.9 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' A' ' 79' ' ' LYS . . . -65.07 -58.67 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -76.92 42.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.486 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 6.7 tptt -152.99 -55.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.405 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -69.3 -5.72 24.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.627 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -161.16 46.7 0.38 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.541 ' CB ' ' HG2' ' A' ' 86' ' ' MET . . . -131.26 138.32 49.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -88.05 146.96 25.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -43.51 -32.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.7 t -77.87 -44.58 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.541 ' HG2' ' CB ' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -55.91 -23.96 34.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.419 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -58.09 -57.04 14.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.66 -43.31 10.82 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 25.3 mm100 -41.3 -61.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.624 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 11.1 mp -48.75 -45.34 39.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.593 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -58.1 -20.49 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 31.9 t0 -70.58 -70.03 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.624 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.0 -46.54 93.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.247 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.526 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.1 mm -53.5 -26.46 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.593 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.7 m170 -76.49 -31.47 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.406 ' CA ' ' HG2' ' A' ' 99' ' ' LYS . . . -90.03 -24.65 29.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.606 1.191 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 100' ' ' SER . 12.5 m -89.54 -64.67 1.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -45.49 -32.44 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 110.272 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 95' ' ' HIS . 10.5 ptpt -75.36 -31.06 60.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.2 -6.06 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -114.47 84.3 9.58 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.573 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -74.99 175.92 10.6 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.09 48.29 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.472 ' CB ' ' OD1' ' A' ' 106' ' ' ASP . 78.6 m-20 -62.65 150.83 39.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.448 ' C ' ' H ' ' A' ' 107' ' ' LYS . 76.1 m-20 -57.04 -28.98 63.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.388 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 109' ' ' MET . 33.4 p-10 -81.64 32.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.167 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.537 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 8.3 pttt -41.5 -26.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 106' ' ' ASP . 41.9 t -63.2 -52.2 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -90.51 -10.0 45.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.573 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -89.03 -66.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.598 1.186 . . . . 0.0 109.231 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.722 ' O ' ' N ' ' A' ' 115' ' ' ALA . 9.6 m -43.19 -46.6 6.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -47.6 -46.88 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.373 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 1.3 t70 -42.08 -58.56 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.544 ' HA ' ' HB2' ' A' ' 117' ' ' CYS . 0.9 OUTLIER -84.44 -49.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.722 ' N ' ' O ' ' A' ' 111' ' ' THR . . . -47.89 -24.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 112' ' ' ILE . 1.1 ttm -103.08 -27.6 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 11.0 t -40.2 -53.62 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 108.359 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.595 ' CE1' HD23 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -67.12 -44.09 80.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -58.12 -29.52 65.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.357 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.1 OUTLIER -65.42 -26.83 68.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -53.44 -34.33 57.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.522 ' CD1' ' N ' ' A' ' 122' ' ' ILE . 1.2 mm -70.5 -37.27 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.478 ' HB2' ' CA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -50.03 -15.5 0.21 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.639 1.212 . . . . 0.0 109.605 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.49 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 20.5 mttt -96.35 25.31 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.646 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.16 -93.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 126' ' ' ASN . 3.3 t30 -109.31 -4.06 16.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.609 ' CD1' HD12 ' A' ' 125' ' ' LEU . 0.9 OUTLIER -90.6 155.57 18.76 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.3 m -100.1 117.41 63.29 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.49 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.4 Cg_endo -75.03 51.27 2.75 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.553 1.817 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.9 t30 -39.24 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.442 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -108.48 100.97 10.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.944 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.415 ' C ' ' CB ' ' A' ' 140' ' ' ALA . 13.3 t0 -130.32 125.45 34.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -55.1 130.02 40.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 50.4 t -114.14 -58.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.461 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.41 -11.05 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.19 27.41 36.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.064 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.89 175.6 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.741 . . . . 0.0 110.355 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.4 p -64.07 100.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 8.6 tt -174.53 -63.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.255 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.415 ' CB ' ' C ' ' A' ' 132' ' ' ASP . . . -95.5 164.31 12.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.226 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.85 87.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 109.365 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -163.91 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.528 1.804 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -52.91 -25.2 11.03 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.4 mm -60.15 -38.15 75.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.645 1.215 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.91 -0.05 49.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.503 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 2.6 tttt -117.82 106.45 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 4.2 p-10 -118.6 140.04 50.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 1.1 tt -59.44 177.79 0.18 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -48.63 -95.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -116.98 -35.74 4.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -35.08 -36.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.178 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 10' ' ' ASN . 21.7 m-85 -114.34 -66.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.73 -33.64 1.1 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 14.8 ttpt -79.84 -53.35 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.8 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.476 ' CB ' HD23 ' A' ' 55' ' ' LEU . . . -60.19 -42.81 95.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.46 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -62.06 -42.67 99.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.088 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.97 -46.8 70.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 13.1 mt-30 -67.15 -40.18 86.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.508 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 3.5 m -60.87 -38.44 85.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 108.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.4 OUTLIER -66.85 -5.22 11.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.072 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.16 -69.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.508 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -45.49 -45.53 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.5 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -98.37 -11.44 22.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.581 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 51.32 18.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.611 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -82.0 166.74 35.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.611 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.2 Cg_endo -74.98 119.86 5.83 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.478 ' O ' HG21 ' A' ' 30' ' ' VAL . 45.1 p-10 -67.93 0.3 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.453 ' H ' ' C ' ' A' ' 26' ' ' PRO . 14.6 p -81.51 -42.05 20.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 30' ' ' VAL . 11.5 m -65.23 -36.99 79.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.503 HG13 ' CB ' ' A' ' 51' ' ' ALA . 16.8 m -74.95 -31.91 26.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -67.91 -16.73 64.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.071 . . . . 0.0 109.24 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -66.5 -37.48 85.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.573 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 4.2 tp -47.78 -50.73 24.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.503 ' CE2' ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -52.07 -22.8 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.948 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.529 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 1.1 t30 -85.74 -70.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.529 ' CG ' ' C ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER 162.57 44.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 111.082 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.668 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.52 15.77 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 108.09 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.692 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 7.9 ptmt -45.27 -59.74 2.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.526 ' HA ' ' ND1' ' A' ' 123' ' ' HIS . 8.2 p-10 -47.16 -35.29 7.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.611 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 8.6 t70 -72.6 82.58 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.583 1.177 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.55 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 47.7 t80 -80.49 172.39 13.82 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.459 1.099 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.55 ' N ' ' CG ' ' A' ' 41' ' ' TYR . 3.2 t -38.68 -30.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -43.08 -23.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.61 -54.54 2.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.403 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.32 104.5 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' GLY . 1.2 ttm180 -67.18 -43.27 82.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.5 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.22 -42.82 20.91 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.56 -33.23 67.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -78.89 -31.69 42.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.97 -45.22 18.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.503 ' CB ' HG13 ' A' ' 30' ' ' VAL . . . -56.61 -50.03 73.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.442 HG21 ' N ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -59.44 -41.34 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.442 ' N ' HG21 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -62.06 -41.5 98.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.7 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -68.82 -27.98 66.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 108.373 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -41.29 -28.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.646 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -63.16 -11.16 18.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.7 ' N ' ' O ' ' A' ' 54' ' ' CYS . 23.3 p -12.46 -64.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.605 1.191 . . . . 0.0 110.46 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.582 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 2.6 tptt -117.78 94.96 4.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.687 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -54.69 -15.53 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.604 1.19 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 58' ' ' LYS . 17.4 t0 -71.06 -24.83 62.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.582 ' CG2' ' O ' ' A' ' 58' ' ' LYS . 17.7 m -80.03 -37.39 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.687 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -84.7 -45.88 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.5 p30 -123.05 103.61 36.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -42.71 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.18 2.71 16.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.53 39.71 2.52 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.42 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 0.5 OUTLIER -52.38 -42.32 63.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 0.713 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.736 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -165.63 -176.47 3.93 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.155 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.469 ' ND1' ' O ' ' A' ' 68' ' ' LEU . 7.2 m-70 -145.97 115.91 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -41.97 141.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.642 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.11 -45.4 3.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -129.43 81.29 2.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.42 130.54 43.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.223 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.408 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -61.42 171.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.481 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 5.9 m-20 -70.25 0.48 6.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.408 ' H ' ' C ' ' A' ' 74' ' ' LYS . 44.9 m-85 -90.28 -45.42 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.453 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -61.74 -58.85 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.481 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -79.16 40.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.069 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.475 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 1.4 tttm -154.43 -56.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.453 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -66.5 -6.67 15.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.573 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -157.85 36.8 0.54 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.561 1.163 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.48 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.32 131.07 45.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.385 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.89 141.53 49.52 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.391 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.3 -32.99 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 t -77.45 -44.69 28.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.407 1.067 . . . . 0.0 110.418 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.584 ' HE2' ' CZ ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -56.78 -27.31 59.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.445 1.09 . . . . 0.0 111.034 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.453 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -61.24 -47.28 86.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.692 ' NE2' ' C ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -87.69 -51.71 5.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.1 mm100 -38.93 -56.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.572 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 8.5 mp -46.85 -46.03 20.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.588 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 9.0 t -52.36 -17.71 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 37.8 t0 -75.57 -69.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.48 -46.79 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.492 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -52.09 -24.11 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.588 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.19 -30.85 58.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.635 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.29 -24.07 35.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.21 -63.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -45.21 -33.31 2.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.423 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 11.8 ptpt -74.01 -31.66 63.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.07 -7.55 39.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.76 84.99 13.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.566 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.96 176.05 10.41 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.59 1.837 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -74.93 45.74 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.661 1.874 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.458 ' N ' ' HD2' ' A' ' 110' ' ' LYS . 2.0 t-20 -62.46 140.5 58.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.643 1.214 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 107' ' ' LYS . 3.7 m-20 -57.39 -17.61 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.5 OUTLIER -79.28 34.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 109.254 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 2.6 mttp -40.66 -26.03 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 106' ' ' ASP . 12.9 t -60.47 -51.27 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -104.61 -4.47 22.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.566 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.57 -69.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.097 . . . . 0.0 109.244 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.3 m -52.16 -42.65 63.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 116' ' ' MET . 0.1 OUTLIER -46.64 -47.51 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.82 -53.39 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -79.11 -49.12 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.366 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.88 -23.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 112' ' ' ILE . 1.7 mmt -105.02 -36.32 7.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.2 t -42.06 -53.73 3.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 108.384 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.584 ' CZ ' ' HE2' ' A' ' 86' ' ' MET . 0.2 OUTLIER -65.58 -42.45 91.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 110.926 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.574 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.7 OUTLIER -60.34 -29.13 68.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -58.81 -30.22 67.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -60.9 -29.29 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.227 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.504 ' CD1' ' N ' ' A' ' 122' ' ' ILE . 1.2 mm -76.78 -40.78 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.423 1.077 . . . . 0.0 109.379 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.692 ' CD2' ' HB2' ' A' ' 38' ' ' LYS . 2.6 m170 -49.55 -17.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.605 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.484 ' CD ' ' HG3' ' A' ' 129' ' ' PRO . 0.9 OUTLIER -96.53 26.27 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.646 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -44.33 -94.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 126' ' ' ASN . 3.0 t30 -109.33 -3.52 17.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 109.32 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.614 ' CD2' ' CD1' ' A' ' 125' ' ' LEU . 1.2 m0 -89.04 152.19 21.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.1 p -95.89 116.95 66.57 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.339 1.024 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.484 ' HG3' ' CD ' ' A' ' 124' ' ' LYS . 18.3 Cg_endo -74.94 50.46 2.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.5 p30 -40.01 -28.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.47 ' N ' ' C ' ' A' ' 129' ' ' PRO . 12.6 mmt -94.43 103.35 15.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 134' ' ' VAL . 9.0 t0 -127.5 126.95 43.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 81.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 132' ' ' ASP . 8.6 p -116.21 3.8 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.067 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.479 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.85 -20.55 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.04 24.16 67.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.437 1.086 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.67 149.29 50.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 110.252 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.6 m -65.01 108.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -174.91 -61.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.76 165.15 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.462 ' HG3' ' CE ' ' A' ' 43' ' ' MET . 3.0 mt-10 -69.6 88.32 0.5 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.58 1.175 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 65.0 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.506 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 1' ' ' SER . 18.1 Cg_endo -75.0 -163.94 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.42 1.747 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' LYS . 2.2 tp10 -53.94 -25.5 20.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.222 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.5 mm -55.96 -36.67 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -29.19 68.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 111.01 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -109.45 106.44 16.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.9 p-10 -118.33 147.81 43.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.223 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.492 ' CD2' ' HB3' ' A' ' 11' ' ' ASN . 0.4 OUTLIER -60.04 -173.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 t -59.8 -91.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' PHE . 74.7 m-20 -119.59 -38.17 3.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.492 ' HB3' ' CD2' ' A' ' 8' ' ' LEU . 1.7 t30 -34.36 -35.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 10' ' ' ASN . 5.1 m-85 -114.73 -68.62 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.416 ' O ' ' HE1' ' A' ' 16' ' ' MET . . . -44.26 -37.17 4.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 4.8 ttpt -81.19 -45.47 16.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.229 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -60.63 -46.24 91.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.592 ' HE1' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -67.53 -36.65 81.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.592 ' N ' ' HE1' ' A' ' 16' ' ' MET . 8.3 t70 -71.24 -48.77 49.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.4 mt-30 -67.39 -32.2 72.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.486 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 1.3 m -64.12 -39.64 94.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 108.363 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.579 ' O ' ' HA ' ' A' ' 24' ' ' SER . 4.3 ttpt -65.16 -5.67 7.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 0.0 109.313 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.05 -69.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 1.8 pt-20 -47.65 -45.78 28.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 63.9 mt -99.02 -10.6 22.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.52 18.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.61 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -81.9 168.93 20.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.61 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.2 Cg_endo -74.99 120.98 6.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.792 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.472 ' HB2' ' CG ' ' A' ' 16' ' ' MET . 42.4 p-10 -67.86 0.54 3.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.451 ' H ' ' C ' ' A' ' 26' ' ' PRO . 30.3 p -81.95 -39.79 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 15.8 m -64.85 -37.86 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.475 ' CG1' ' HG3' ' A' ' 16' ' ' MET . 9.1 p -73.83 -31.76 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.517 ' HA ' ' CD2' ' A' ' 34' ' ' TYR . . . -67.31 -23.67 65.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -62.64 -29.52 70.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.583 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 17.0 tp -51.45 -49.27 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 31' ' ' ALA . 20.0 m-85 -65.98 -23.43 66.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 1.5 t30 -84.37 -70.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 168.07 69.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 111.025 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CZ3' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -91.56 8.26 37.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 1.176 . . . . 0.0 108.039 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -43.7 -58.23 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.403 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.566 ' HB2' ' CE1' ' A' ' 123' ' ' HIS . 0.3 OUTLIER -67.4 -33.48 75.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.187 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -69.64 93.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.358 1.036 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 42' ' ' VAL . 11.8 t80 -98.4 156.88 16.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 46' ' ' ARG . 33.3 t -39.94 -29.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -39.9 -26.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.956 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -109.8 -52.19 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -134.35 105.62 6.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' HA ' ' CG1' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -71.73 -33.36 68.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.501 ' H ' ' CD2' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -47.72 -44.93 28.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . . . -56.83 -31.63 64.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.518 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -83.38 -30.09 31.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.567 1.167 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.81 -45.05 21.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.465 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -53.43 -46.9 69.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.408 HG21 ' N ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -58.33 -39.21 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.361 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.408 ' N ' HG21 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -56.52 -46.51 80.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -63.19 -30.21 71.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 108.317 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HA ' ' CB ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -53.95 -33.38 56.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.616 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.5 -13.28 61.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.208 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.616 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.97 -59.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.437 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' CB ' HG12 ' A' ' 61' ' ' VAL . 53.9 mmtt -113.18 93.13 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.637 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -57.95 -15.98 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -23.28 62.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.524 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.5 m -81.5 -42.04 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.637 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.26 -45.54 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.486 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -124.12 109.93 29.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -41.38 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.02 -0.55 16.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.382 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.486 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 104.73 46.12 1.32 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -53.57 -36.28 61.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.488 0.758 . . . . 0.0 109.355 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.732 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -167.27 -173.98 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.595 1.184 . . . . 0.0 109.285 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.476 ' CD2' HD22 ' A' ' 59' ' ' LEU . 26.8 m80 -144.9 116.68 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.438 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -40.43 140.18 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.649 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.03 -45.8 3.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -122.7 73.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 0.8 . . . . 0.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.455 ' HB3' ' CB ' ' A' ' 77' ' ' ALA . . . -62.09 130.8 47.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' O ' ' SD ' ' A' ' 78' ' ' MET . 6.5 mmtt -60.38 171.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.484 ' O ' ' CE ' ' A' ' 78' ' ' MET . 22.7 m-20 -71.0 0.88 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -101.16 -34.91 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . . . -53.73 -76.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.732 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.16 42.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.8 OUTLIER -141.24 -50.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -5.27 22.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -144.64 23.09 2.0 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.431 1.082 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.462 ' CB ' ' HG3' ' A' ' 86' ' ' MET . . . -132.37 160.26 36.84 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.597 0.822 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -85.55 143.38 28.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -39.86 -30.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 83' ' ' ASP . 1.6 t -66.5 -40.6 89.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.46 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.564 ' N ' ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -46.82 -37.63 8.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.481 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -48.78 -48.93 40.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.492 ' HA ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -94.35 -45.92 7.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 0.0 110.258 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' A' ' 92' ' ' ASP . 2.3 mt-30 -43.56 -60.67 1.66 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.589 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 9.4 mp -45.28 -45.18 11.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.549 HG12 ' CD2' ' A' ' 95' ' ' HIS . 3.2 t -53.14 -16.02 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.369 1.043 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' GLN . 1.1 m-20 -77.9 -69.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.589 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.83 -47.16 86.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.497 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -52.23 -24.83 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.229 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.549 ' CD2' HG12 ' A' ' 91' ' ' VAL . 1.2 m170 -76.47 -31.78 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.5 -24.12 31.88 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.067 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -88.82 -63.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.6 tt0 -45.31 -33.34 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.25 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.401 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 21.4 pttt -74.77 -31.54 61.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.0 -6.0 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -114.65 83.92 9.5 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.597 1.186 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.55 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.1 Cg_endo -75.09 176.5 9.85 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.414 1.744 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.5 Cg_endo -74.92 46.7 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.811 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.33 140.96 58.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.634 1.209 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' A' ' 107' ' ' LYS . 52.5 m-20 -57.03 -17.78 11.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.2 m-20 -80.47 33.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.527 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -40.18 -26.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.498 ' N ' ' C ' ' A' ' 106' ' ' ASP . 12.9 t -60.31 -51.35 69.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 108.257 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -103.6 -4.65 23.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.2 OUTLIER -88.76 -72.35 0.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.41 ' HA ' ' HE2' ' A' ' 110' ' ' LYS . 4.6 m -52.01 -44.23 64.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.456 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.518 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -47.77 -43.53 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.436 ' CG ' ' OH ' ' A' ' 41' ' ' TYR . 2.1 t70 -43.61 -54.18 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.446 ' CG2' ' CB ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -72.58 -49.81 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.37 -21.9 1.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.473 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . 1.9 tpt -101.21 -36.51 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.2 t -43.86 -48.58 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.307 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.556 ' CE1' HD23 ' A' ' 90' ' ' LEU . 1.1 t80 -65.78 -38.86 90.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -29.63 70.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 123' ' ' HIS . 0.1 OUTLIER -62.22 -29.65 70.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 27.1 mm-40 -60.81 -27.53 68.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.9 mm -73.34 -38.04 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 39' ' ' ASP . 0.8 OUTLIER -46.41 -18.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.645 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.477 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.3 OUTLIER -93.83 25.11 3.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.586 1.178 . . . . 0.0 109.37 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.628 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -48.88 -96.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.39 1.057 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.439 ' N ' HD11 ' A' ' 125' ' ' LEU . 28.0 m-80 -98.63 -25.23 14.79 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.387 1.054 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 127' ' ' TRP . 0.0 OUTLIER -90.43 139.04 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.162 . . . . 0.0 107.983 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.18 117.58 68.57 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.523 ' HB3' ' CD2' ' A' ' 123' ' ' HIS . 18.5 Cg_endo -74.91 51.38 2.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' PRO . 42.8 t30 -39.04 -30.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.443 ' N ' ' C ' ' A' ' 129' ' ' PRO . 1.1 ttt -96.21 100.78 12.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 140' ' ' ALA . 4.4 m-20 -130.15 118.68 21.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.601 ' CD2' ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -175.95 106.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.46 ' CG1' HD11 ' A' ' 135' ' ' ILE . 13.8 p -116.06 -14.68 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.469 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.8 -19.51 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 70.1 33.21 69.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.409 1.068 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -130.27 173.42 10.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 0.8 . . . . 0.0 110.319 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 14.6 m -73.25 99.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.1 tp -178.9 -41.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 132' ' ' ASP . . . -90.81 166.19 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 132' ' ' ASP . 0.3 OUTLIER -73.6 84.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' GLU . 58.6 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -164.59 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.442 1.759 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.513 ' HB3' ' CG ' ' A' ' 34' ' ' TYR . 2.3 mm-40 -54.91 -25.13 27.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 4.6 mm -56.37 -38.53 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.378 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -0.09 53.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.55 105.48 10.87 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.082 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 4.9 p-10 -119.98 143.44 48.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.441 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 1.7 tt -61.65 177.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 m -48.72 -90.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -117.45 -36.88 3.61 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -35.41 -34.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 10' ' ' ASN . 12.1 m-85 -113.39 -69.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.86 -32.89 1.02 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 3.6 tmmm? -80.14 -52.67 7.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -60.29 -44.42 95.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.534 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 23.1 mmt -63.64 -39.28 93.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -74.54 -37.58 62.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 15.1 mt-30 -72.68 -40.91 65.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.186 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.476 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 87.8 m -62.52 -37.09 84.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.343 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -66.85 -6.75 17.55 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.609 1.193 . . . . 0.0 109.261 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.34 -69.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 1.9 pt-20 -47.57 -43.66 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 50' ' ' CYS . 24.8 mt -98.7 -11.82 21.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.37 1.044 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.549 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER 51.77 17.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.626 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -82.53 165.87 39.62 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.647 1.217 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.626 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.5 Cg_endo -75.0 120.72 6.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.398 1.736 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.462 ' O ' HG11 ' A' ' 30' ' ' VAL . 32.2 p-10 -68.48 0.54 3.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 26' ' ' PRO . 22.1 p -82.4 -40.1 21.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 20.0 m -62.68 -37.94 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.462 HG11 ' O ' ' A' ' 27' ' ' ASP . 8.4 p -74.45 -30.27 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.49 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -66.76 -29.84 69.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -59.92 -23.75 63.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.623 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -59.06 -51.04 71.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.513 ' CG ' ' HB3' ' A' ' 3' ' ' GLU . 0.3 OUTLIER -51.7 -24.62 5.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.498 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 2.4 m-20 -85.71 -72.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.498 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 9.8 p90 176.64 59.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.659 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.42 19.17 6.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -55.56 -55.71 28.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' CA ' ' HB2' ' A' ' 123' ' ' HIS . 23.4 t0 -64.93 -29.13 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -69.35 82.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.532 ' CE1' HG23 ' A' ' 42' ' ' VAL . 12.0 t80 -78.71 155.01 29.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.532 HG23 ' CE1' ' A' ' 41' ' ' TYR . 27.0 m -40.05 -30.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.451 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.9 OUTLIER -41.79 -25.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.905 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -111.24 -52.34 2.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.079 . . . . 0.0 110.34 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.6 91.15 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HG3' ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.84 -33.52 75.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.559 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -50.31 -43.23 53.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.575 1.172 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.57 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . . . -56.86 -32.71 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' HG13 ' A' ' 112' ' ' ILE . . . -83.37 -28.99 34.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 111.066 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 1.2 m -79.53 -45.62 18.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.549 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . . . -53.98 -48.2 70.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.566 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -65.25 -34.51 71.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -49.01 76.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.553 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.4 OUTLIER -67.13 -18.84 65.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.331 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.566 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 0.5 OUTLIER -52.47 -36.34 54.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.647 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.98 -12.38 60.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.647 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.26 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.545 ' CG ' HG12 ' A' ' 61' ' ' VAL . 6.4 tptt -113.2 95.98 5.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.69 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -61.65 -16.63 50.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.373 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -68.68 -22.11 64.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.545 HG12 ' CG ' ' A' ' 58' ' ' LYS . 1.4 m -83.0 -40.66 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.69 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -80.9 -44.44 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 4.1 p30 -121.55 103.71 40.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -43.05 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.404 1.739 . . . . 0.0 110.98 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -112.44 1.86 16.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.76 38.89 2.28 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.438 1.086 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.411 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 56.6 t30 -57.05 -33.95 67.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.627 HD11 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -162.87 -178.02 5.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 8.8 m-70 -151.97 120.53 6.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.584 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.573 ' CG ' ' CB ' ' A' ' 56' ' ' ALA . 44.3 t60 -47.29 139.05 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.73 -44.73 2.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -125.85 82.68 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.35 130.62 44.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.394 1.059 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 170.67 1.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.496 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 5.8 m-20 -70.73 -2.91 16.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -89.16 -46.74 8.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 111.075 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -62.79 -58.2 8.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.498 ' CE ' ' HB2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -78.3 41.22 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 111.011 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.498 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -154.06 -52.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.548 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -68.61 -5.95 22.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.68 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -156.89 29.27 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.466 ' HB1' ' CE ' ' A' ' 86' ' ' MET . . . -131.6 137.8 48.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.156 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.94 142.27 43.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 109.234 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -46.08 -33.28 3.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.4 1.062 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.2 t -77.23 -43.38 33.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.564 ' HE3' ' CE1' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -55.69 -25.13 38.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -62.79 -51.37 67.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.383 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -81.67 -47.78 12.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.615 1.197 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.9 mm100 -42.99 -61.23 1.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.588 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 10.3 mp -48.41 -45.56 36.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.564 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.1 t -52.92 -19.52 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 7.8 m-20 -73.33 -68.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.588 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.9 -47.2 83.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 109.211 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.487 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -51.95 -25.08 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.368 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.564 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 0.7 OUTLIER -76.06 -31.38 58.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.588 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.42 ' C ' ' HG2' ' A' ' 99' ' ' LYS . . . -88.31 -23.79 36.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -87.95 -63.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.66 -33.74 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.355 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 0.0 OUTLIER -73.81 -31.06 63.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.59 -8.48 34.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.032 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.3 80.42 12.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.88 173.87 13.72 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.502 1.791 . . . . 0.0 111.065 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 43.23 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.559 1.82 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' A' ' 102' ' ' PRO . 10.4 t-20 -61.13 150.11 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.413 ' C ' ' H ' ' A' ' 107' ' ' LYS . 6.3 m-20 -55.12 -21.88 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' MET . 4.9 m-20 -83.84 29.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 105' ' ' ASP . 17.6 mtmt -40.8 -29.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 106' ' ' ASP . 4.7 t -55.17 -49.43 71.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 108.284 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -102.24 -4.51 25.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -90.2 -79.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.0 m -47.0 -44.36 20.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 116' ' ' MET . 0.1 OUTLIER -47.2 -45.0 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.228 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 1.3 t70 -44.99 -45.83 10.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.501 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -74.7 -54.29 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.87 -20.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.658 ' CE ' ' CZ2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -103.52 -35.72 8.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 2.4 t -43.57 -53.92 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.354 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.573 ' CD1' HD23 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -65.97 -36.64 83.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -30.71 70.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.593 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.1 OUTLIER -63.99 -33.77 76.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 7.5 mm-40 -58.94 -30.07 67.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.8 mm -81.64 -36.42 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -47.23 -20.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.551 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -96.51 27.13 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.229 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.646 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.8 -95.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 126' ' ' ASN . 3.0 t30 -99.02 -2.17 37.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.516 ' CE2' HD12 ' A' ' 125' ' ' LEU . 2.1 m0 -88.99 156.46 18.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 6.8 m -85.21 118.95 71.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.38 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.427 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.5 Cg_endo -75.0 50.34 2.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -43.46 -27.02 0.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.427 ' N ' ' C ' ' A' ' 129' ' ' PRO . 2.1 ttm -94.2 100.67 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.33 125.01 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.226 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -45.58 113.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 135' ' ' ILE . 4.9 p -115.82 -13.36 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.485 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.35 -21.06 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 69.11 31.52 72.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 111.05 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.6 174.75 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 0.815 . . . . 0.0 110.298 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 16.4 m -69.66 100.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 173.33 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.168 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.475 ' CB ' ' HA ' ' A' ' 133' ' ' LEU . . . -111.03 166.16 11.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.63 90.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.413 ' CG2' ' SG ' ' A' ' 97' ' ' CYS . 12.5 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.48 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 1' ' ' SER . 18.3 Cg_endo -74.9 -165.46 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -54.38 -25.89 27.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 110.254 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.421 HD13 ' O ' ' A' ' 31' ' ' ALA . 3.4 mm -56.42 -38.41 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.387 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.5 ttp -98.44 -5.99 31.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.48 105.41 11.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.368 1.043 . . . . 0.0 109.239 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -119.69 138.7 53.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 9' ' ' SER . 3.2 pp -71.81 -167.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.552 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 6.4 t -48.94 -100.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.04 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.593 ' O ' ' N ' ' A' ' 12' ' ' PHE . 4.0 m-20 -125.55 -34.98 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.549 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -28.72 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.678 ' CD2' ' CE ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -108.43 -64.17 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.94 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.84 -38.37 4.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.419 1.075 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -51.41 20.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.08 74.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.678 ' CE ' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.16 -49.1 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.058 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -66.52 -41.13 89.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 14.6 mt-30 -69.22 -40.95 77.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.481 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 2.2 m -60.64 -37.99 83.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.338 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -67.92 -5.17 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.623 1.202 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.99 -69.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.481 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -45.25 -44.71 11.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -98.69 -11.68 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.572 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 51.54 18.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 110.055 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.628 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -84.04 167.94 24.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.628 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -75.05 120.36 6.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.398 1.736 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' O ' HG11 ' A' ' 30' ' ' VAL . 5.4 t0 -67.22 -2.59 6.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 26' ' ' PRO . 15.3 p -81.54 -39.9 23.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 26' ' ' PRO . 32.2 m -62.94 -36.02 73.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.475 HG11 ' O ' ' A' ' 27' ' ' ASP . 7.5 p -78.87 -31.45 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.592 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . -69.83 -17.27 63.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.568 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 54.9 t0 -77.06 -32.85 57.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.45 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 9.8 mt -50.77 -39.54 52.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.592 ' CE2' ' HA ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -74.5 -20.83 59.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -67.39 -73.45 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.367 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 161.08 28.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.599 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -95.33 26.5 3.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.008 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.606 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 27.7 mttm -43.46 -53.05 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.579 ' CG ' ' CE1' ' A' ' 123' ' ' HIS . 53.5 t0 -47.08 -35.72 7.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.599 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 20.8 t0 -89.07 76.91 7.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.606 ' CD2' ' O ' ' A' ' 38' ' ' LYS . 6.5 m-85 -97.33 -169.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' TYR . 30.9 m -32.53 -36.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -39.5 -27.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -119.68 -49.6 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.457 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.04 98.46 5.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -61.93 -40.42 95.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.249 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.26 -43.76 22.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.229 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.68 -31.84 62.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.491 ' HA3' ' CG1' ' A' ' 42' ' ' VAL . . . -82.19 -29.49 37.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.522 1.139 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.2 -45.32 20.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.486 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -56.63 -47.65 79.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.634 1.209 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -61.45 -39.17 81.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.451 ' CG ' ' CE1' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -59.63 -46.07 90.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -67.24 -20.44 65.67 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.552 1.158 . . . . 0.0 108.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 0.4 OUTLIER -53.56 -34.84 59.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.649 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.74 -12.0 60.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.12 -60.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 56' ' ' ALA . 4.3 mmtt -111.43 104.94 13.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.178 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 56' ' ' ALA . 3.2 mt -71.5 -23.07 61.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.26 -34.41 76.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.482 HG22 ' CB ' ' A' ' 58' ' ' LYS . 30.7 m -88.67 -39.43 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.459 ' N ' HG23 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -65.44 -44.06 94.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -128.53 104.42 19.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -42.23 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.542 1.812 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.07 4.08 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.44 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 97.95 45.72 2.38 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.02 -41.24 59.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.354 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.75 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -171.01 -174.21 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -146.44 120.97 9.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.591 1.182 . . . . 0.0 109.615 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 56' ' ' ALA . 10.0 t-160 -44.86 139.79 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.6 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 -45.75 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.088 . . . . 0.0 111.074 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -125.03 77.18 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.495 ' HB3' ' CB ' ' A' ' 77' ' ' ALA . . . -62.49 131.57 49.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.73 171.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.485 ' C ' ' CE ' ' A' ' 78' ' ' MET . 39.4 m-20 -71.72 1.55 6.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -102.61 -29.42 11.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.495 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . . . -56.02 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.595 1.184 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.774 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.41 42.48 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 111.086 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.465 ' CG ' ' HE1' ' A' ' 86' ' ' MET . 0.0 OUTLIER -140.91 -50.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.088 . . . . 0.0 109.357 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -69.25 -5.39 22.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 0.0 109.567 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.59 22.92 1.5 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.435 1.084 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.427 ' CB ' ' HG3' ' A' ' 86' ' ' MET . . . -133.44 157.92 44.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -90.47 148.89 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -42.83 -29.66 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -67.6 -37.86 83.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.45 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.521 ' N ' ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -49.29 -38.4 27.16 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 0.0 110.964 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.46 ' N ' ' SD ' ' A' ' 86' ' ' MET . . . -47.5 -47.24 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.676 ' NE2' ' C ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -93.74 -51.98 4.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.401 1.063 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.564 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.3 mt-30 -39.14 -56.39 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.604 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 6.6 mp -47.54 -48.39 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.232 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.567 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 3.2 t -53.32 -14.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 31.9 t0 -79.41 -69.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.604 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.21 -47.53 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.509 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.1 mt -51.7 -24.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.32 -32.41 58.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.667 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.477 ' HA2' ' CE ' ' A' ' 99' ' ' LYS . . . -90.13 -24.12 30.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.6 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -88.53 -63.15 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 4.9 tt0 -45.12 -34.81 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.383 1.052 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.477 ' CE ' ' HA2' ' A' ' 96' ' ' GLY . 0.6 OUTLIER -73.81 -30.14 62.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.45 -7.92 33.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -116.9 80.87 11.52 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.446 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.5 Cg_endo -74.97 174.07 13.41 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.433 1.754 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 41.0 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.556 1.819 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.446 ' H ' ' C ' ' A' ' 102' ' ' PRO . 6.2 t-20 -62.3 146.64 50.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.389 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 107' ' ' LYS . 83.3 m-20 -55.47 -21.72 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.5 OUTLIER -83.88 29.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 105' ' ' ASP . 2.3 ptmt -40.34 -29.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.452 ' N ' ' C ' ' A' ' 106' ' ' ASP . 5.8 t -51.46 -47.81 63.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.9 ptt? -102.22 -6.98 22.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.075 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -90.03 -79.62 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.0 m -45.36 -44.68 11.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 116' ' ' MET . 0.1 OUTLIER -47.41 -44.44 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 6.4 t0 -45.74 -47.74 15.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.49 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -75.08 -56.63 8.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.362 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -47.67 -21.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.538 ' HG3' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -102.14 -35.81 8.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.46 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 1.9 t -45.39 -54.92 6.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.393 1.058 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.573 ' CD1' HD12 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -64.34 -36.04 82.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 110.942 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -62.09 -30.31 70.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.055 . . . . 0.0 109.36 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -63.07 -27.58 69.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 124' ' ' LYS . 48.4 mm-40 -58.18 -27.8 64.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.4 mm -80.44 -41.83 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.613 1.196 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.579 ' CE1' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -47.1 -22.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.577 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -97.19 28.92 3.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.661 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -43.16 -93.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 126' ' ' ASN . 3.3 t30 -112.37 -3.83 14.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.618 ' CD1' HD12 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -90.79 153.39 20.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 108.014 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.7 p -91.86 117.87 67.97 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.516 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.0 Cg_endo -75.1 50.31 2.52 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.64 -32.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 129' ' ' PRO . 1.5 ttt -97.34 101.62 13.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.408 1.067 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.9 95.36 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.436 ' C ' ' CD2' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -174.98 133.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.3 t -115.36 -58.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.467 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.13 -5.52 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.48 30.93 23.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -125.69 175.24 7.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 110.349 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.519 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -68.22 112.2 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -176.71 -50.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -78.95 165.08 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.83 84.39 0.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' HG2' ' CD1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -54.98 -24.82 25.92 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.59 1.181 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.524 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 4.8 mm -56.48 -37.36 51.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.67 -7.83 39.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -110.11 106.02 15.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -118.94 139.67 51.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.547 ' CD1' ' HB2' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -70.18 -169.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 8' ' ' LEU . 28.9 t -49.32 -101.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.052 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.619 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -123.77 -31.15 3.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.572 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -29.54 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.619 ' N ' ' O ' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -108.22 -67.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.961 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.15 -34.23 2.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 34.8 ttpt -77.26 -55.72 5.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 0.773 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.49 -43.65 93.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 109.375 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.501 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 30.3 mmt -62.21 -38.76 90.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.051 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.45 -40.9 85.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.092 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.9 mt-30 -72.56 -39.92 67.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.533 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 96.8 m -63.32 -34.77 78.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 108.356 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -68.25 -7.27 29.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.94 -68.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.533 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -46.04 -42.58 13.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 25' ' ' LEU . 3.0 mt -98.33 -12.85 21.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 2.8 m 53.29 16.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.616 1.198 . . . . 0.0 109.989 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.601 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -84.08 165.91 36.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.368 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.601 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.6 Cg_endo -74.92 121.49 6.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.603 1.844 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.483 ' O ' HG11 ' A' ' 30' ' ' VAL . 31.8 p-10 -69.2 -1.18 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.396 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -83.28 -39.7 20.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 26' ' ' PRO . 26.9 m -61.16 -36.31 71.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.485 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 11.0 p -77.13 -32.88 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.524 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -75.67 -28.27 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -70.43 -18.45 63.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.636 HD21 ' CG ' ' A' ' 37' ' ' TRP . 20.6 mt -57.36 -49.79 75.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 3' ' ' GLU . 1.7 m-85 -51.34 -26.45 7.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 110.976 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.566 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 17.0 t30 -69.22 -58.06 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 14.0 m-85 -170.88 80.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.636 ' CG ' HD21 ' A' ' 33' ' ' LEU . 4.4 t90 -89.11 15.78 8.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.481 ' HB3' ' CA ' ' A' ' 123' ' ' HIS . 1.8 mptt -76.32 -64.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.4 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.62 ' CG ' ' CE1' ' A' ' 123' ' ' HIS . 59.6 t0 -73.38 -36.03 66.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.241 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -69.31 101.74 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.523 ' CD2' ' HB2' ' A' ' 43' ' ' MET . 6.3 t80 -102.92 148.44 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.408 ' C ' ' N ' ' A' ' 44' ' ' THR . 1.7 t -40.54 -28.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.523 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -48.6 -19.97 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.91 -48.64 2.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -127.64 95.17 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER -77.1 -41.84 40.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.503 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -46.5 -44.4 17.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.491 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . . . -57.13 -33.77 67.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.483 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -77.33 -22.71 69.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -87.46 -40.74 14.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.564 ' O ' ' SG ' ' A' ' 54' ' ' CYS . . . -56.86 -48.14 78.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.217 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.49 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -66.24 -36.04 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -49.3 76.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.666 ' O ' ' N ' ' A' ' 57' ' ' THR . 3.2 p -70.5 -31.75 68.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.172 . . . . 0.0 108.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.572 HD22 ' CD1' ' A' ' 12' ' ' PHE . 1.5 tm? -40.97 -28.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.64 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -62.67 -11.76 19.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.666 ' N ' ' O ' ' A' ' 54' ' ' CYS . 25.4 p -14.08 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 56' ' ' ALA . 10.9 mmtm -114.61 94.69 4.89 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.572 1.17 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.625 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 1.1 mp -59.38 -15.77 18.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -68.62 -24.22 64.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.572 ' CG2' ' HB3' ' A' ' 11' ' ' ASN . 1.6 m -79.78 -41.15 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.625 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.73 -45.68 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 59' ' ' LEU . 5.4 p-10 -123.48 105.41 33.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -42.76 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.55 1.816 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.01 3.56 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.41 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 101.82 39.91 2.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.419 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 2.5 t30 -52.25 -37.11 54.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 0.782 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.73 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.83 -174.83 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.536 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 23.6 m-70 -146.93 112.91 5.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.405 1.066 . . . . 0.0 109.654 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' HIS . 2.4 t60 -39.05 140.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.522 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.02 -45.1 3.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -130.03 80.24 1.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.741 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.52 131.39 50.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 170.33 1.54 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.471 ' O ' ' CE ' ' A' ' 78' ' ' MET . 10.8 m-20 -72.29 0.5 9.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -101.05 -30.12 11.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 79' ' ' LYS . . . -58.91 -76.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.732 ' O ' ' HG2' ' A' ' 78' ' ' MET . 0.0 OUTLIER -73.99 43.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.1 OUTLIER -142.31 -54.61 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.408 ' NE2' ' OD1' ' A' ' 67' ' ' ASN . 0.2 OUTLIER -71.14 -5.21 29.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.628 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.82 44.06 0.57 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.499 ' CB ' ' HG2' ' A' ' 86' ' ' MET . . . -130.84 134.19 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' A' ' 86' ' ' MET . 4.2 m-20 -74.86 144.6 43.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.411 1.07 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -44.85 -33.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.2 t -77.31 -43.81 31.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.499 ' HG2' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -55.34 -23.06 21.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.475 ' HA ' ' CE ' ' A' ' 86' ' ' MET . . . -60.44 -52.7 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -44.93 8.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.193 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 24.2 mm100 -41.71 -62.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.575 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 10.8 mp -49.15 -44.84 43.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.564 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -54.85 -17.67 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 0.0 109.322 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 32.4 t0 -75.09 -68.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.19 -47.25 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.604 1.19 . . . . 0.0 109.359 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.497 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.61 -24.86 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.564 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -75.89 -30.58 58.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.427 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.16 -24.31 34.88 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.598 1.186 . . . . 0.0 111.005 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.7 OUTLIER -90.28 -61.01 1.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 8.9 tm-20 -45.81 -33.52 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -73.42 -31.0 63.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.8 -8.75 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.056 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.77 79.01 12.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.0 172.1 17.04 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 43.95 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 102' ' ' PRO . 5.6 t-20 -60.61 150.34 32.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 107' ' ' LYS . 1.5 m-20 -52.5 -29.32 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.9 OUTLIER -83.57 29.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.238 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 105' ' ' ASP . 4.8 pttt -40.71 -29.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.432 ' N ' ' C ' ' A' ' 106' ' ' ASP . 13.0 t -51.45 -46.61 63.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 108.274 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 18.4 ttt -101.45 -7.76 22.57 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -89.74 -79.11 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.253 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.5 m -44.75 -44.74 9.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.347 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.483 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -47.5 -44.39 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 0.6 OUTLIER -44.64 -43.47 8.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.102 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.494 ' CG2' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -75.25 -54.61 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.95 -20.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.536 ' CE ' ' CD2' ' A' ' 37' ' ' TRP . 3.2 tpt -101.54 -35.78 9.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 2.5 t -46.9 -51.55 16.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 108.258 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.57 ' CE1' HD23 ' A' ' 90' ' ' LEU . 3.1 t80 -65.58 -33.48 76.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -70.84 -30.38 66.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -67.98 -36.65 80.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.355 1.035 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -55.72 -27.7 51.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' A' ' 125' ' ' LEU . 3.5 mm -66.3 -36.64 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.62 ' CE1' ' CG ' ' A' ' 39' ' ' ASP . 21.4 t-160 -45.29 -19.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.69 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.485 ' N ' ' C ' ' A' ' 122' ' ' ILE . 29.3 mtmt -93.36 25.51 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.608 HD23 ' CZ2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -51.97 -100.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.503 ' N ' HD11 ' A' ' 125' ' ' LEU . 25.1 t30 -94.92 -31.58 13.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.608 ' CZ2' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -98.89 134.39 41.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.494 1.121 . . . . 0.0 108.003 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 68.5 t -105.6 116.76 59.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.355 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.583 ' HG3' ' CE1' ' A' ' 123' ' ' HIS . 18.2 Cg_endo -75.04 49.89 2.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.542 1.812 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -43.04 -35.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.3 ttt -105.71 108.82 20.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -120.03 124.55 46.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -41.49 114.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 135' ' ' ILE . 7.3 p -116.08 -10.6 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.498 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.92 -21.02 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.73 31.86 52.33 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -132.13 171.34 13.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 0.755 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 15.7 m -64.81 115.88 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 172.92 -54.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.68 164.48 23.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -70.62 85.14 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.2 p . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -164.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.427 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 5.6 mm-40 -54.37 -25.16 22.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.5 mm -57.47 -37.5 58.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -5.22 26.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.5 104.18 8.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 4.3 p-10 -123.58 142.08 51.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -58.86 171.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m -47.67 -85.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 12' ' ' PHE . 30.8 m120 -120.98 -38.74 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.558 ' ND2' ' CD2' ' A' ' 12' ' ' PHE . 2.1 t30 -33.8 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.558 ' CD2' ' ND2' ' A' ' 11' ' ' ASN . 9.2 m-85 -115.39 -68.64 0.91 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.95 -35.33 0.94 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 3.7 tmmm? -81.99 -51.77 7.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 0.757 . . . . 0.0 109.369 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.93 -43.72 81.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.58 1.175 . . . . 0.0 109.229 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.534 ' SD ' ' CG2' ' A' ' 30' ' ' VAL . 18.4 mmt -67.58 -42.15 83.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -68.53 -46.96 68.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.06 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 11.8 mt-30 -65.23 -37.67 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.432 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 7.6 m -61.74 -37.92 86.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 108.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -66.97 -6.88 18.58 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.368 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.86 -69.06 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -48.39 -41.95 30.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 2.7 mt -98.48 -11.62 22.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 50.64 16.56 0.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.63 HD21 ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -83.27 169.97 15.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.63 ' O ' HD21 ' A' ' 25' ' ' LEU . 18.4 Cg_endo -74.89 121.6 6.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 0.0 111.053 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' HG21 ' A' ' 30' ' ' VAL . 9.8 t70 -68.43 0.13 4.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 26' ' ' PRO . 32.2 p -79.99 -42.12 24.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.489 ' CG2' ' CD2' ' A' ' 25' ' ' LEU . 34.1 m -65.13 -35.39 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.534 ' CG2' ' SD ' ' A' ' 16' ' ' MET . 2.8 m -72.97 -40.36 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -68.88 -19.45 64.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.567 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 66.0 t0 -70.33 -33.83 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.513 ' N ' ' HE1' ' A' ' 37' ' ' TRP . 12.1 mt -53.25 -33.25 52.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -73.61 -22.05 60.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -68.81 -73.14 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.536 ' CB ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 160.14 28.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 1.195 . . . . 0.0 110.985 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -95.04 25.43 4.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.618 ' O ' ' CE2' ' A' ' 41' ' ' TYR . 5.3 mttp -45.02 -52.41 8.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.541 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 2.9 p-10 -46.57 -33.0 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.601 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 10.2 t0 -83.61 85.75 7.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 38' ' ' LYS . 96.7 m-85 -99.53 -169.99 1.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.49 ' C ' ' O ' ' A' ' 41' ' ' TYR . 24.4 t -33.76 -35.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.243 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -38.94 -27.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -117.69 -53.46 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -128.41 110.83 12.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' GLY . 1.8 tmm_? -70.0 -41.48 74.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.447 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.72 -44.06 27.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.244 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.17 70.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.474 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -80.62 -31.58 36.26 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.16 -45.83 17.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.486 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -55.11 -47.08 75.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -56.87 -38.94 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.547 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -63.03 -44.36 96.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -63.12 -21.27 66.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.591 1.182 . . . . 0.0 108.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.516 HD22 ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -52.97 -35.42 58.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.646 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -74.95 -12.53 60.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.65 -60.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' A' ' 56' ' ' ALA . 33.8 mmtt -111.92 95.53 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.624 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 8.6 mt -60.39 -15.54 27.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.34 -23.24 62.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.219 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.517 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.4 m -81.77 -41.83 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.624 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.89 -46.66 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 p30 -123.32 106.26 33.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -41.36 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.54 -0.79 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 104.92 41.54 1.95 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -35.49 46.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.739 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -168.94 -174.52 2.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.434 ' N ' HD21 ' A' ' 68' ' ' LEU . 40.9 m-70 -146.02 118.83 8.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.19 . . . . 0.0 109.585 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.547 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 12.6 t-80 -43.87 141.76 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.83 -45.35 3.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -128.24 79.52 1.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 0.747 . . . . 0.0 109.346 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.32 131.02 46.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.8 172.19 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.474 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 42.8 m-20 -70.27 -0.72 8.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 26.5 m-85 -88.87 -45.02 10.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.599 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -66.31 -58.79 4.59 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.545 ' CE ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -75.83 41.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.452 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 1.2 ttmm -143.92 -57.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.599 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -70.36 -4.75 23.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.618 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.62 41.32 0.75 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.438 1.086 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.475 ' CB ' ' HG2' ' A' ' 86' ' ' MET . . . -131.25 133.66 45.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.8 OUTLIER -80.23 139.7 36.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -40.81 -32.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.287 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.405 ' OG1' ' HG3' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -76.8 -43.28 37.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.408 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -54.11 -28.82 41.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.5 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -53.59 -51.55 62.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.479 ' HA ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -94.6 -43.27 8.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.9 mt-30 -46.0 -59.69 2.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.587 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 10.1 mt -46.29 -44.39 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.583 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.6 t -56.28 -15.6 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 89' ' ' GLN . 5.1 m-20 -76.72 -71.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.587 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -62.64 -47.19 94.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.509 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.54 -26.91 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.9 m170 -76.25 -30.46 57.88 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.534 1.146 . . . . 0.0 109.659 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.38 -23.72 36.19 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.543 1.152 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 101' ' ' ALA . 2.7 m -90.1 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 1.7 tt0 -45.57 -35.31 3.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.245 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -73.01 -30.5 63.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.609 1.193 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.41 -6.58 40.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.94 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.47 82.7 9.96 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.582 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.91 176.28 10.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 44.45 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 102' ' ' PRO . 1.2 t-20 -63.69 142.3 58.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.433 ' C ' ' H ' ' A' ' 107' ' ' LYS . 31.0 m-20 -56.54 -19.87 17.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.8 OUTLIER -82.18 32.71 0.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.441 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 11.3 pttt -40.3 -28.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.474 ' N ' ' C ' ' A' ' 106' ' ' ASP . 33.4 t -61.64 -52.45 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 108.294 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -90.85 -13.51 33.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.582 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.3 OUTLIER -89.4 -69.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 8.2 m -42.92 -44.99 4.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.474 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -48.08 -48.09 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 116' ' ' MET . 2.6 t70 -40.55 -48.81 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.235 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.465 ' CG2' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -84.73 -49.55 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -45.08 -25.75 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.585 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -105.16 -33.14 8.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.133 . . . . 0.0 110.982 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 17.5 t -39.54 -55.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.564 ' CD1' HD12 ' A' ' 90' ' ' LEU . 1.2 t80 -65.65 -42.26 91.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -59.3 -29.95 67.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 41' ' ' TYR . 5.3 mttp -60.65 -28.6 68.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 124' ' ' LYS . 8.0 mm-40 -59.59 -28.9 67.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.589 ' O ' ' N ' ' A' ' 125' ' ' LEU . 2.2 mp -82.25 -42.26 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.541 ' CD2' ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -48.06 -21.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.4 OUTLIER -98.87 25.94 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.681 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -41.93 -95.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.427 ' N ' HD11 ' A' ' 125' ' ' LEU . 4.0 m-80 -104.58 -3.31 23.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.597 ' CD2' ' CD1' ' A' ' 125' ' ' LEU . 1.3 m0 -90.26 154.39 19.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.8 m -92.6 121.06 66.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.435 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.2 Cg_endo -75.02 51.98 2.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.571 1.827 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' PRO . 13.6 t-20 -38.81 -31.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.17 . . . . 0.0 109.367 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.435 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.6 OUTLIER -98.04 99.97 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.487 ' HB3' ' CB ' ' A' ' 140' ' ' ALA . 8.0 m-20 -127.98 96.47 4.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.479 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -171.68 125.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 90.4 t -114.57 -60.18 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.39 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.452 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.36 -11.26 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.3 26.7 35.52 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.91 174.78 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -75.4 114.32 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER 174.34 -70.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.487 ' CB ' ' HB3' ' A' ' 132' ' ' ASP . . . -78.99 165.19 23.72 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.454 1.097 . . . . 0.0 109.238 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.413 ' N ' ' HB3' ' A' ' 132' ' ' ASP . 4.2 mt-10 -69.42 87.07 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 -179.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.495 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 1' ' ' SER . 18.3 Cg_endo -74.98 -166.51 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.541 ' OE2' ' CZ ' ' A' ' 34' ' ' TYR . 5.9 mm-40 -55.56 -25.29 37.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 4.9 mm -53.79 -39.83 41.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 ttm -94.51 -11.85 28.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -109.65 105.63 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.213 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.6 p-10 -119.53 145.98 45.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 109.384 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 11' ' ' ASN . 0.8 OUTLIER -60.08 171.05 1.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.413 ' H ' ' CD1' ' A' ' 8' ' ' LEU . 42.7 t -47.13 -80.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.455 1.097 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 12' ' ' PHE . 71.6 m-20 -121.36 -39.01 2.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.47 ' C ' ' O ' ' A' ' 10' ' ' ASN . 2.2 t30 -34.36 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.511 ' CD1' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -115.1 -66.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.6 -34.8 1.85 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 24.7 ttpp -80.44 -53.96 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 11' ' ' ASN . . . -57.67 -40.98 80.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.44 -48.11 76.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.1 -39.96 86.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 15.3 mt-30 -70.4 -42.64 71.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.441 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 4.3 m -62.08 -40.41 95.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.217 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.597 ' O ' ' HA ' ' A' ' 24' ' ' SER . 1.1 ttpm? -66.48 -4.52 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.83 -69.6 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -46.71 -44.51 18.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -99.34 -11.15 21.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.597 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 50.22 18.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.615 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -81.89 168.46 23.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.361 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.615 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.4 Cg_endo -75.02 119.22 5.55 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.5 1.789 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.464 ' O ' HG21 ' A' ' 30' ' ' VAL . 24.7 p-10 -67.05 0.35 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.447 ' H ' ' C ' ' A' ' 26' ' ' PRO . 6.8 p -81.3 -40.76 23.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.445 HG21 ' N ' ' A' ' 30' ' ' VAL . 23.4 m -64.76 -37.0 79.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.522 HG13 ' CB ' ' A' ' 51' ' ' ALA . 34.9 m -77.53 -31.13 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -65.34 -17.49 64.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -81.02 -19.4 43.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.692 ' CD2' ' CH2' ' A' ' 37' ' ' TRP . 13.3 mt -50.34 -50.95 49.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.541 ' CZ ' ' OE2' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -67.87 -21.88 65.14 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 0.0 110.927 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.568 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -74.29 -73.2 0.24 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 0.4 OUTLIER 158.8 48.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 111.081 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.692 ' CH2' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.35 16.65 9.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 108.044 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -44.61 -55.53 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -51.68 -35.63 43.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.568 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 19.5 t0 -76.09 56.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.219 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.667 ' CD1' ' HB2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -57.46 173.2 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 111.093 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 46' ' ' ARG . 2.2 t -43.18 -36.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.667 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 14.5 mtp -39.37 -27.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.3 m -108.13 -52.61 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.31 98.04 4.59 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.485 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -67.75 -32.34 72.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.54 ' H ' ' CD2' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -55.23 -44.28 75.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.173 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.433 ' O ' ' HB ' ' A' ' 52' ' ' ILE . . . -60.32 -32.07 70.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.519 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -80.71 -31.23 36.91 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.511 1.132 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.01 -44.39 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.522 ' CB ' HG13 ' A' ' 30' ' ' VAL . . . -59.58 -49.16 78.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.504 HG21 ' N ' ' A' ' 53' ' ' ASN . 0.1 OUTLIER -50.15 -36.49 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.546 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -62.77 -43.58 98.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.535 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.4 OUTLIER -64.83 -28.63 69.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 108.356 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.511 HD22 ' CD1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -53.46 -33.23 53.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.61 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.41 -13.21 60.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.61 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -18.08 -59.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.472 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' CB ' HG12 ' A' ' 61' ' ' VAL . 44.0 mmtt -112.54 94.5 4.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.68 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -61.63 -16.09 45.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -22.56 63.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.517 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.3 m -82.99 -41.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.68 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.12 -45.05 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 4.4 p30 -122.31 103.02 39.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.17 -42.13 0.53 Allowed 'Trans proline' 0 C--N 1.362 1.262 0 O-C-N 124.455 1.766 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -111.74 0.54 16.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.66 41.38 1.87 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 2.0 t30 -53.44 -37.31 62.48 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 0.738 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.75 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -171.94 -176.74 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.553 ' CD2' HD22 ' A' ' 59' ' ' LEU . 49.4 m80 -146.15 118.29 8.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.54 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.546 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 10.2 t-80 -42.46 140.55 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.65 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.33 -45.24 3.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.582 1.176 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -127.82 82.19 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.595 0.821 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.75 130.37 43.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.15 172.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.523 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.5 OUTLIER -70.17 -1.41 10.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -86.3 -45.48 11.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 79' ' ' LYS . . . -67.62 -58.43 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.538 ' CE ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -75.5 41.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.918 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.477 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 2.7 tttp -148.99 -55.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.415 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -69.43 -5.59 24.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.556 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -155.59 43.81 0.55 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.501 ' CB ' ' HG2' ' A' ' 86' ' ' MET . . . -130.16 133.7 46.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 109.205 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 86' ' ' MET . 4.6 m-20 -81.51 141.35 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -31.21 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 2.2 t -75.51 -43.7 47.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.614 1.196 . . . . 0.0 110.475 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.501 ' HG2' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.23 -26.96 31.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 111.018 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.488 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -53.67 -55.83 22.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.495 ' HA ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -94.01 -43.2 8.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 62.7 mm-40 -44.1 -60.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.603 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 15.7 mt -46.58 -43.4 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.577 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.9 t -57.05 -15.9 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 3.7 m-20 -76.84 -71.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.603 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -60.91 -47.0 95.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.505 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.76 -28.5 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 2.5 m170 -76.38 -29.68 57.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.585 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.419 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -87.73 -24.24 36.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -89.37 -61.94 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.5 OUTLIER -45.76 -34.07 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.96 -30.57 61.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.358 1.036 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.86 -6.83 41.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.39 83.56 10.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.59 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.6 Cg_endo -75.01 176.8 9.44 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.6 Cg_endo -75.02 46.74 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.529 1.805 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.412 ' OD1' ' HG2' ' A' ' 102' ' ' PRO . 27.9 m120 -63.76 142.12 58.52 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.448 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.7 OUTLIER -56.95 -18.79 14.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -81.72 32.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.527 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 19.0 ptmt -41.13 -25.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.473 ' N ' ' O ' ' A' ' 106' ' ' ASP . 25.0 t -61.52 -50.74 71.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 108.3 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.7 ttp -102.6 -4.9 24.51 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.59 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -89.1 -69.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.418 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 6.0 m -52.51 -42.5 64.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.519 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -48.26 -46.57 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.181 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 116' ' ' MET . 1.2 t0 -42.84 -45.41 4.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.427 HG21 ' CB ' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -79.24 -48.91 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.85 -20.23 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.484 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 8.2 ptt? -104.93 -27.73 11.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 116' ' ' MET . 6.9 t -48.98 -55.3 12.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 108.297 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.584 ' CD1' HD12 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -64.91 -43.78 91.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 0.0 110.975 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -59.83 -29.21 68.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.391 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -59.85 -33.32 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -59.01 -29.41 67.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.562 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.4 mm -76.71 -37.53 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.459 ' CE1' ' HB3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -47.9 -18.77 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.513 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.471 ' N ' ' C ' ' A' ' 122' ' ' ILE . 5.5 mttp -96.52 26.23 4.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.671 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -44.81 -95.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -103.32 -4.0 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.589 ' CD1' HD12 ' A' ' 125' ' ' LEU . 0.8 OUTLIER -91.0 153.88 19.84 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.24 118.29 59.32 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.471 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.2 Cg_endo -75.05 51.63 2.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.57 1.826 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -43.1 -26.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.45 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -92.99 100.87 13.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.502 ' O ' ' C ' ' A' ' 133' ' ' LEU . 1.0 OUTLIER -128.75 126.47 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 132' ' ' ASP . 0.0 OUTLIER -31.98 117.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.7 p -115.43 7.7 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.385 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.484 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -97.93 -10.2 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.634 1.209 . . . . 0.0 109.342 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.99 33.39 18.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' A' ' 133' ' ' LEU . 1.5 tt0 -107.27 134.23 50.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 0.787 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.7 m -66.82 121.13 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.3 mt 173.01 -68.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.398 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -83.4 165.93 18.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 142' ' ' VAL . 0.7 OUTLIER -74.24 90.28 2.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 110.231 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.485 ' CA ' HD12 ' A' ' 133' ' ' LEU . 25.0 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.83 -165.06 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.416 1.745 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.24 -25.5 33.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.7 mm -53.96 -36.9 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.355 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.0 ptm -54.17 -30.22 48.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.73 105.78 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.576 1.172 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -119.89 138.92 53.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.344 1.028 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.58 HD22 ' CB ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.87 -167.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t -59.43 -102.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.015 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.612 ' O ' ' N ' ' A' ' 12' ' ' PHE . 1.9 m-20 -125.24 -27.97 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.54 ' C ' ' O ' ' A' ' 10' ' ' ASN . 2.1 m120 -27.63 -39.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.157 . . . . 0.0 109.28 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.624 ' CD2' ' SD ' ' A' ' 16' ' ' MET . 0.7 OUTLIER -106.9 -64.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 111.028 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.36 -33.58 1.42 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HB2' ' CG ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -75.3 -54.59 6.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 0.803 . . . . 0.0 109.286 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.76 96.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.624 ' SD ' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.17 -38.28 90.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.18 -43.6 73.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.393 1.058 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 20.6 mt-30 -71.15 -35.25 71.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.511 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -64.47 -35.33 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -66.27 -6.8 15.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -112.07 -68.09 0.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.511 ' HG2' ' HA ' ' A' ' 19' ' ' CYS . 1.9 pt-20 -49.19 -44.14 42.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.261 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.496 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 71.3 mt -97.71 -11.14 23.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.541 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.3 m 50.4 18.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.047 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.631 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -82.41 166.53 35.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.631 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.95 120.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.527 ' O ' HG21 ' A' ' 30' ' ' VAL . 11.6 t0 -66.84 -1.93 4.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 26' ' ' PRO . 20.5 p -82.44 -39.3 22.78 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.483 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 31.8 m -63.44 -36.72 77.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.622 1.201 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.549 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -77.47 -32.67 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.361 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 27' ' ' ASP . . . -68.49 -16.93 64.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -77.07 -21.03 55.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.603 ' HG ' ' CH2' ' A' ' 37' ' ' TRP . 0.8 OUTLIER -55.82 -51.05 68.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -21.44 61.39 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 17.2 t30 -75.58 -65.51 0.89 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 163.27 46.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.629 ' CE3' ' C ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.17 12.77 19.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 108.001 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 1.5 ttmt -44.83 -55.68 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.614 ' CB ' ' CD2' ' A' ' 123' ' ' HIS . 0.5 OUTLIER -65.31 -28.15 69.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.571 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 17.5 t0 -69.16 87.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.553 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 50.7 t80 -90.24 172.88 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.553 ' N ' ' CG ' ' A' ' 41' ' ' TYR . 25.1 t -38.99 -29.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' TYR . 9.9 tpt -39.42 -27.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -111.42 -59.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.477 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -134.36 114.1 12.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' GLY . 1.3 ttm180 -75.74 -39.77 56.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.446 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.28 -43.37 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' O ' ' HB ' ' A' ' 52' ' ' ILE . . . -60.85 -33.12 72.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -83.08 -31.85 27.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.9 -45.56 20.36 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.549 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . . . -56.58 -47.77 78.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -54.7 -42.84 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.361 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.443 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -56.82 -41.22 77.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.639 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -65.58 -29.69 70.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 108.171 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.579 HD22 ' CD1' ' A' ' 12' ' ' PHE . 2.2 tm? -41.35 -27.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 109.276 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.617 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -61.23 -12.64 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.639 ' N ' ' O ' ' A' ' 54' ' ' CYS . 27.8 p -17.07 -61.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.504 ' CB ' HG12 ' A' ' 61' ' ' VAL . 11.7 mmtt -114.85 93.1 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.635 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 1.1 mp -58.15 -15.85 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.72 -24.33 63.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.504 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.7 m -80.24 -41.43 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.635 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.23 -46.26 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' LEU . 5.2 p-10 -124.2 105.44 31.41 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -43.17 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.424 1.749 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -112.81 2.66 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.19 39.33 2.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.401 1.063 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.426 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -53.54 -37.73 63.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.736 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -168.78 -176.49 2.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.402 1.064 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.61 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 40.7 m170 -147.25 112.08 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.578 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CB ' ' HB1' ' A' ' 56' ' ' ALA . 3.8 t-80 -40.65 143.39 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 109.615 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.78 -45.0 3.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -129.49 74.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.81 130.38 43.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.402 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -61.77 168.84 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.488 ' O ' ' CE ' ' A' ' 78' ' ' MET . 1.3 m-20 -71.75 1.75 6.41 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.575 1.172 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.455 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 4.6 t80 -100.55 -28.46 12.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.371 1.044 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.491 ' HB3' ' CB ' ' A' ' 68' ' ' LEU . . . -54.48 -76.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.743 ' O ' ' HG2' ' A' ' 78' ' ' MET . 0.0 OUTLIER -76.56 39.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.49 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -144.81 -55.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.455 ' ND1' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -70.46 -5.7 30.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.589 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.8 24.16 1.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.416 ' HB2' ' C ' ' A' ' 78' ' ' MET . . . -131.99 149.34 52.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.45 142.16 53.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 109.376 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.57 -35.66 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 7.3 t -81.4 -44.5 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.409 ' O ' HD11 ' A' ' 90' ' ' LEU . 12.7 ttm -53.52 -42.66 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.19 -46.75 72.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.45 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.4 OUTLIER -74.17 -41.93 60.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.242 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.3 mm100 -48.42 -54.48 13.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.597 HD23 ' CE1' ' A' ' 118' ' ' PHE . 7.3 mp -46.81 -45.52 20.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.545 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 9.4 t -52.43 -17.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 45.4 t0 -76.32 -68.69 0.56 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.576 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.98 -46.98 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.495 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.1 mt -51.92 -24.57 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.213 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.6 -30.74 57.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.63 -24.68 29.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.567 1.167 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 100' ' ' SER . 0.7 OUTLIER -87.94 -63.77 1.25 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 16.4 tt0 -45.77 -33.91 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.201 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.425 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 27.3 pttt -73.46 -31.22 63.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.9 -7.03 41.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.08 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.63 83.31 11.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.574 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.3 Cg_endo -74.98 175.84 10.7 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 111.066 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 17.9 Cg_endo -75.01 45.4 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.578 1.83 . . . . 0.0 111.028 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -63.4 143.77 57.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.098 . . . . 0.0 109.364 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 107' ' ' LYS . 1.4 m-20 -57.08 -19.07 17.16 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.602 1.189 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 110' ' ' LYS . 43.3 m-20 -81.86 30.96 0.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 2.3 mtpt -41.23 -26.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.469 ' N ' ' C ' ' A' ' 106' ' ' ASP . 32.4 t -61.68 -51.44 68.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.563 1.164 . . . . 0.0 108.25 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.3 OUTLIER -97.01 -10.18 26.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.574 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.4 -69.34 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.44 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 7.0 m -48.19 -42.95 31.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.463 ' O ' ' HB2' ' A' ' 116' ' ' MET . 0.1 OUTLIER -47.68 -46.48 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -43.06 -54.06 4.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.46 ' CG2' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -76.23 -48.48 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -47.46 -23.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -105.54 -36.56 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 116' ' ' MET . 4.4 t -41.19 -51.51 3.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 108.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.597 ' CE1' HD23 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -66.31 -45.08 81.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.427 ' HB3' ' CE ' ' A' ' 116' ' ' MET . 6.2 mttt -59.05 -30.87 68.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.1 OUTLIER -61.18 -28.41 69.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 16.1 mm-40 -59.01 -28.81 66.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.5 mm -78.79 -36.86 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.614 ' CD2' ' CB ' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -47.36 -18.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.685 1.241 . . . . 0.0 109.635 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.452 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -95.4 26.82 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.666 HD11 ' N ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -43.77 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 126' ' ' ASN . 3.7 t30 -112.64 -6.19 13.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.603 ' CD1' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -91.79 152.16 20.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 m -94.39 117.81 67.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.0 Cg_endo -74.95 51.12 2.69 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 129' ' ' PRO . 2.3 t-20 -39.23 -31.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.445 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -95.69 100.54 12.24 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.573 1.171 . . . . 0.0 111.054 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.427 ' HB3' ' N ' ' A' ' 141' ' ' GLU . 0.2 OUTLIER -118.63 106.15 12.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.519 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -175.83 115.81 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 92.4 t -115.29 -60.22 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.453 ' N ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.45 -19.95 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.52 30.28 27.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.35 173.0 6.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 13.2 m -65.06 99.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.43 -63.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.63 165.19 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.427 ' N ' ' HB3' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -73.35 84.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.464 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 1' ' ' SER . 18.3 Cg_endo -74.97 -165.83 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.62 1.852 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.443 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 15.9 mm-40 -57.04 -21.8 34.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.595 1.184 . . . . 0.0 110.22 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 16.4 mm -52.06 -41.6 32.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.41 0.28 17.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 105.19 8.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.226 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.5 p-10 -123.32 139.93 53.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.488 ' HG ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -69.21 -170.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.393 1.058 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -52.45 -99.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.086 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' PHE . 6.5 m120 -121.8 -31.37 3.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.639 1.212 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.553 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -26.77 -42.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.693 ' CE1' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -109.46 -64.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.434 ' HA2' ' SD ' ' A' ' 16' ' ' MET . . . -40.81 -34.79 0.81 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.488 1.118 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 10' ' ' ASN . 18.0 ttpp -80.93 -42.56 21.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.497 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -56.99 -47.82 79.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.535 ' HE2' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -72.96 -38.22 66.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 8.2 t70 -65.88 -39.98 91.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.4 mt-30 -71.81 -42.45 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.542 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 1.1 m -62.33 -40.59 96.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' CD ' ' HB3' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -57.07 -13.37 2.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -109.34 -70.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 3.0 pt-20 -57.42 -34.47 68.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 4.1 mm? -97.85 -12.51 22.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.4 m 45.45 21.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.967 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.598 HD21 ' N ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -91.64 168.35 13.45 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.598 ' N ' HD21 ' A' ' 25' ' ' LEU . 18.4 Cg_endo -74.98 120.71 6.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.579 1.831 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.491 ' HB3' ' CD ' ' A' ' 20' ' ' LYS . 40.0 p-10 -66.99 -0.68 3.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 0.0 109.232 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 26' ' ' PRO . 29.7 p -82.44 -39.85 21.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' A' ' 26' ' ' PRO . 28.2 m -61.62 -37.37 77.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.478 HG11 ' O ' ' A' ' 27' ' ' ASP . 11.9 p -77.71 -33.09 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.522 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.85 -13.39 62.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 9.2 t0 -72.01 -33.21 67.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.622 ' CD1' ' CZ3' ' A' ' 37' ' ' TRP . 7.2 tp -54.22 -35.02 61.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 31' ' ' ALA . 11.0 m-85 -52.79 -37.59 59.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.373 1.046 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.566 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -86.44 -70.69 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 2.0 m-85 178.28 66.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.425 1.078 . . . . 0.0 111.038 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.635 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.83 15.87 12.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.0 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' O ' ' CE ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -54.76 -55.93 24.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.636 ' CB ' ' CD2' ' A' ' 123' ' ' HIS . 0.3 OUTLIER -59.66 -33.46 71.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.36 85.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.574 ' CE2' HG23 ' A' ' 42' ' ' VAL . 32.6 t80 -92.53 164.05 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.068 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.574 HG23 ' CE2' ' A' ' 41' ' ' TYR . 27.5 m -40.38 -28.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.431 1.082 . . . . 0.0 109.238 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' TYR . 11.2 tpt -38.22 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -112.56 -53.03 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.361 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -133.05 107.74 8.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -63.35 -44.34 95.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -46.81 -43.45 18.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.68 -32.71 59.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.476 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -81.56 -30.56 36.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.71 -40.05 42.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.471 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . . . -55.54 -48.16 75.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -62.53 -47.29 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.461 ' N ' HG21 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -60.02 -45.28 93.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.427 1.079 . . . . 0.0 109.366 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -64.57 -21.9 66.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 108.299 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.693 ' CD2' ' CE1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -52.93 -33.73 52.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.622 1.201 . . . . 0.0 109.347 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.616 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -71.59 -12.05 61.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.232 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.616 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -16.61 -60.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 110.448 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.529 ' CB ' HG12 ' A' ' 61' ' ' VAL . 15.2 mmtt -112.08 94.97 5.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.627 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.7 OUTLIER -59.0 -16.26 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.41 -22.58 62.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.529 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.5 m -82.34 -41.73 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.627 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.88 -45.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.238 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.6 p-10 -123.09 103.35 36.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -42.03 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.93 0.38 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.87 39.44 2.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.958 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.428 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 63.2 t30 -53.43 -37.76 62.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.748 ' C ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -167.18 -176.5 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.44 ' N ' HD21 ' A' ' 68' ' ' LEU . 5.9 m-70 -146.71 118.71 8.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.517 ' CG ' ' HB1' ' A' ' 56' ' ' ALA . 8.3 t60 -42.04 142.58 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.607 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.61 -44.69 2.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -128.84 76.76 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.803 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.51 131.25 50.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -60.73 171.34 1.18 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.52 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 3.0 m-20 -70.23 -2.21 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.92 -46.09 10.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.583 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -65.67 -58.95 4.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.527 ' CE ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -76.38 42.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 111.008 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.483 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.3 OUTLIER -152.06 -52.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -67.84 -6.47 21.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.072 . . . . 0.0 109.586 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.529 ' N ' ' HD1' ' A' ' 80' ' ' HIS . . . -159.65 44.94 0.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.571 1.17 . . . . 0.0 111.016 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.512 ' CB ' ' HG2' ' A' ' 86' ' ' MET . . . -131.01 132.97 45.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.763 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' MET . 7.7 m-20 -79.92 141.44 36.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.01 -32.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.311 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -77.38 -41.92 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.512 ' HG2' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.19 -24.53 18.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -59.98 -54.22 48.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -43.37 11.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.629 1.206 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.6 mt-30 -43.3 -62.22 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.59 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 6.4 mp -49.24 -43.97 43.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.227 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.564 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 0.9 OUTLIER -56.31 -18.35 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 109.358 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 39.0 t0 -73.54 -69.36 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.59 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.64 -46.79 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.599 1.187 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.501 ' N ' HG12 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.85 -27.46 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.394 1.059 . . . . 0.0 109.367 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.564 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.5 m170 -75.53 -31.11 59.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.565 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -89.43 -23.96 32.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.33 -61.83 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.486 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.1 tt0 -45.47 -35.33 3.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -73.89 -30.48 62.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.581 1.175 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.0 -5.43 44.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.95 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -114.66 82.8 8.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.559 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -74.99 176.47 9.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 44.97 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.4 1.737 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.78 141.4 58.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.456 ' C ' ' H ' ' A' ' 107' ' ' LYS . 6.9 p-10 -56.54 -18.39 11.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.8 t0 -80.62 32.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.531 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 1.8 tmtt? -40.91 -26.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.475 ' N ' ' C ' ' A' ' 106' ' ' ASP . 11.4 t -62.21 -51.39 68.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.339 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.511 ' N ' ' O ' ' A' ' 106' ' ' ASP . 7.6 ttt -100.67 -4.93 27.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.079 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -90.02 -69.81 0.7 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.421 ' HA ' ' HE2' ' A' ' 110' ' ' LYS . 84.0 m -51.64 -41.45 61.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.476 HG13 ' CA ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -47.45 -46.81 10.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.71 -52.33 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.483 ' CG2' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -75.84 -49.58 25.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.5 -22.2 1.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.59 -37.29 7.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.92 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.0 t -41.5 -54.4 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 108.271 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.581 ' CE1' HD23 ' A' ' 90' ' ' LEU . 1.4 t80 -66.29 -37.71 86.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -62.63 -30.43 71.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.182 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 116' ' ' MET . 27.0 mttt -61.56 -29.13 69.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.447 ' HA ' ' CE ' ' A' ' 124' ' ' LYS . 8.0 mm-40 -59.94 -28.47 67.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.24 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.569 ' O ' ' N ' ' A' ' 125' ' ' LEU . 1.6 mm -80.79 -36.42 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.636 ' CD2' ' CB ' ' A' ' 39' ' ' ASP . 2.0 t-160 -47.24 -18.4 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.622 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.493 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -94.73 25.12 4.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.618 ' N ' HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -46.03 -95.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.439 ' H ' ' CD1' ' A' ' 125' ' ' LEU . 28.1 m-80 -96.46 -24.93 15.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.587 ' CE2' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -91.84 137.32 32.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 108.027 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 6.5 m -92.93 116.96 67.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.209 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.597 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.4 Cg_endo -75.03 50.3 2.5 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.427 1.751 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -40.18 -31.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.433 ' N ' ' C ' ' A' ' 129' ' ' PRO . 2.1 ttt -96.53 109.61 22.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.476 ' CB ' ' N ' ' A' ' 141' ' ' GLU . 1.5 t0 -124.34 125.57 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.9 86.95 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.383 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.493 HG13 ' CD1' ' A' ' 135' ' ' ILE . 0.2 OUTLIER -118.41 -45.55 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.493 ' CD1' HG13 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -106.33 -20.63 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.231 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 70.11 23.38 77.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.66 1.225 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.2 173.48 10.08 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.443 0.731 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 18.6 m -65.03 100.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 177.12 -39.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -93.24 165.45 12.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.476 ' N ' ' CB ' ' A' ' 132' ' ' ASP . 0.0 OUTLIER -70.07 85.74 0.54 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.335 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.484 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.5 mm -55.21 -37.77 44.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.04 -5.05 28.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -109.57 106.07 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -118.68 139.62 51.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.789 HD11 ' H ' ' A' ' 12' ' ' PHE . 3.3 pp -70.26 -164.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.494 ' O ' ' O ' ' A' ' 8' ' ' LEU . 28.9 t -47.27 -103.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 109.953 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.6 ' O ' ' N ' ' A' ' 12' ' ' PHE . 41.2 m-20 -125.55 -34.03 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.744 ' OD1' HG23 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -34.53 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.968 ' CD1' HD11 ' A' ' 55' ' ' LEU . 8.6 t80 -113.73 -64.34 1.32 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.17 -34.28 5.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 10' ' ' ASN . 2.6 ttpt -79.19 -53.82 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.666 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -56.3 -41.84 76.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.609 ' HE1' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -64.97 -47.14 78.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 110.956 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -67.38 -38.08 84.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.5 mt-30 -71.08 -41.15 71.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.726 ' HB3' HD12 ' A' ' 23' ' ' LEU . 60.1 m -62.01 -35.87 79.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.38 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 24' ' ' SER . 4.1 ttpt -67.77 -7.03 24.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.22 -68.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -48.58 -42.65 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.252 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.726 HD12 ' HB3' ' A' ' 19' ' ' CYS . 1.1 mt -98.75 -11.05 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.189 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.53 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.19 18.1 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.737 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -84.9 167.61 25.43 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.794 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.6 Cg_endo -74.97 119.83 5.82 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 111.051 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.503 ' HA ' HG12 ' A' ' 30' ' ' VAL . 30.5 p-10 -68.43 -0.83 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 26' ' ' PRO . 29.2 p -82.49 -41.4 19.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 26' ' ' PRO . 14.7 m -64.77 -36.6 78.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 27' ' ' ASP . 12.3 p -77.28 -31.73 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.378 1.049 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.55 -15.07 63.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.568 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 62.3 t0 -78.3 -30.8 48.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 33' ' ' LEU . 11.1 mt -52.17 -38.17 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.794 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -73.05 -21.36 60.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.536 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 1.1 t-20 -67.98 -73.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER 159.88 29.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -94.57 26.1 3.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 108.051 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.584 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -45.37 -46.18 12.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 3.0 t0 -48.63 -32.83 8.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.61 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 8.5 t70 -83.36 89.8 7.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.588 ' CE2' ' HD2' ' A' ' 120' ' ' LYS . 1.5 m-85 -90.66 -175.53 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.434 ' C ' ' N ' ' A' ' 44' ' ' THR . 6.0 m -40.6 -29.68 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.429 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -41.62 -25.3 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.547 1.154 . . . . 0.0 111.068 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.434 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -113.16 -54.7 2.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.555 ' OD2' HG21 ' A' ' 29' ' ' VAL . 1.2 t70 -135.51 99.22 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.387 1.054 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.785 ' HD2' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -62.44 -33.0 73.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.84 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -49.38 -44.42 44.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.55 64.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.23 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.419 ' C ' HG13 ' A' ' 112' ' ' ILE . . . -82.39 -30.64 33.03 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.536 1.148 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.25 -45.08 20.49 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.45 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -57.4 -47.76 80.86 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -60.03 -39.8 81.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.616 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -60.99 -43.83 98.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.603 ' O ' HG22 ' A' ' 57' ' ' THR . 0.0 OUTLIER -67.9 -20.46 65.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 108.245 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.968 HD11 ' CD1' ' A' ' 12' ' ' PHE . 1.3 tp -52.94 -37.64 61.18 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.601 1.188 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.857 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -72.36 -12.25 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.203 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -15.13 -59.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.71 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -111.79 103.81 12.09 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.857 HD23 ' O ' ' A' ' 56' ' ' ALA . 7.9 mt -71.05 -18.78 62.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -32.29 73.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.71 HG22 ' O ' ' A' ' 58' ' ' LYS . 18.9 m -89.26 -39.22 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.744 HG23 ' OD1' ' A' ' 11' ' ' ASN . 0.9 OUTLIER -68.76 -41.41 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.446 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -134.73 106.17 10.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -111.07 4.14 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.446 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.48 45.99 2.05 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.14 . . . . 0.0 111.066 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -52.35 -37.33 55.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 0.735 . . . . 0.0 109.283 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.024 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.38 -174.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.531 ' N ' HD13 ' A' ' 68' ' ' LEU . 61.7 m80 -147.07 116.57 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.616 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 3.2 t60 -39.99 140.0 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.35 -45.14 3.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 2.1 t30 -127.18 79.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.725 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.15 130.28 42.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.4 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -60.49 171.0 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.389 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.538 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 12.5 m-20 -70.76 0.23 7.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.4 ' H ' ' C ' ' A' ' 74' ' ' LYS . 3.2 t80 -87.87 -45.98 9.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -63.59 -59.0 5.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.538 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -77.77 41.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 3.8 tptt -153.52 -53.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -68.77 -5.83 23.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.626 1.204 . . . . 0.0 109.62 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -160.45 39.6 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.544 ' HB1' ' SD ' ' A' ' 86' ' ' MET . . . -131.03 146.87 52.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 0.721 . . . . 0.0 109.372 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.77 138.56 33.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -42.87 -33.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -77.58 -44.28 28.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 110.359 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.647 ' HG3' HD22 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -55.48 -24.09 29.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -54.36 -60.08 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.456 ' HA ' ' CG2' ' A' ' 91' ' ' VAL . 0.6 OUTLIER -86.56 -41.63 14.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 92' ' ' ASP . 1.6 mt-30 -42.64 -60.85 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.04 HD21 ' CE1' ' A' ' 118' ' ' PHE . 7.4 mp -47.07 -40.77 15.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.56 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.8 t -56.78 -15.39 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.373 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 89' ' ' GLN . 2.3 m-20 -76.93 -69.29 0.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.75 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -63.23 -46.72 95.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.608 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -53.03 -26.93 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 2.1 m170 -75.86 -30.5 58.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.634 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.401 ' C ' ' HG2' ' A' ' 99' ' ' LYS . . . -88.65 -24.66 32.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -89.23 -62.76 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -45.64 -33.64 3.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 95' ' ' HIS . 2.3 pttt -73.3 -31.4 64.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.64 -8.4 34.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.038 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.48 80.31 12.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.09 171.59 18.02 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 44.67 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 102' ' ' PRO . 1.3 t-20 -61.4 149.79 37.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.421 ' C ' ' H ' ' A' ' 107' ' ' LYS . 12.4 m-20 -53.45 -26.81 21.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -83.61 29.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 105' ' ' ASP . 14.5 pttt -39.87 -30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.445 ' N ' ' C ' ' A' ' 106' ' ' ASP . 7.0 t -51.97 -48.27 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' ASP . 22.8 ttt -102.17 -5.95 23.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -90.43 -79.4 0.35 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 114' ' ' VAL . 8.2 m -45.15 -43.95 10.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.755 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.08 -45.92 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -40.8 -42.0 1.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.393 1.058 . . . . 0.0 109.285 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -80.92 -49.36 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.45 -22.18 1.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.469 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 16.1 ptt? -103.3 -31.17 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 116' ' ' MET . 1.8 t -50.8 -53.95 27.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 108.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 1.04 ' CE1' HD21 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -65.52 -32.64 74.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.093 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -57.64 -30.38 65.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.588 ' HD2' ' CE2' ' A' ' 41' ' ' TYR . 27.0 mtmt -63.95 -32.28 73.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.579 ' OE2' HG21 ' A' ' 93' ' ' ILE . 52.2 mm-40 -59.36 -27.68 66.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.233 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.671 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.4 mm -80.73 -40.2 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -21.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -103.66 30.85 4.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.761 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -42.93 -102.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.528 ' H ' HD13 ' A' ' 125' ' ' LEU . 39.7 m-80 -102.54 -30.12 11.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.745 ' H ' HD13 ' A' ' 125' ' ' LEU . 1.9 p-90 -108.7 135.94 49.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 107.982 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 128' ' ' VAL . 10.3 p -124.77 90.07 51.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 50.31 2.5 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -40.54 -35.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.27 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.6 mtp -134.94 100.76 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.786 ' O ' HG23 ' A' ' 134' ' ' VAL . 6.8 p-10 -126.08 125.0 41.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.802 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -44.97 116.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 132' ' ' ASP . 99.4 t -111.58 -53.77 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.381 1.05 . . . . 0.0 109.223 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.587 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.39 -15.87 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.342 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.0 33.11 19.09 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -105.72 172.61 6.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.631 ' O ' HG23 ' A' ' 138' ' ' VAL . 17.8 m -65.45 100.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.72 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -102.72 163.5 12.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.41 86.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.3 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.539 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 31' ' ' ALA . 5.3 mm -54.02 -52.83 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -0.42 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -112.62 105.11 13.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -119.51 140.3 50.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.742 HD22 ' HB2' ' A' ' 11' ' ' ASN . 1.2 tt -60.21 178.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.535 ' N ' HD23 ' A' ' 8' ' ' LEU . 52.9 m -49.38 -87.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.586 1.179 . . . . 0.0 109.981 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 12' ' ' PHE . 6.9 m120 -118.16 -38.14 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.742 ' HB2' HD22 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -35.78 -34.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' ASN . 15.2 m-85 -114.04 -69.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.4 -33.76 0.94 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.426 1.078 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 6.3 ttpt -80.29 -53.75 6.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.384 0.697 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.767 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -59.93 -44.71 94.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.52 ' CE ' HD23 ' A' ' 55' ' ' LEU . 26.6 mmt -62.59 -39.13 92.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.427 1.08 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -72.85 -44.63 61.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.421 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 14.3 mt-30 -67.92 -40.52 83.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.484 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 67.5 m -61.02 -38.26 85.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 108.318 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -67.65 -5.1 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.365 1.041 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.87 -68.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -45.33 -45.58 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.582 1.176 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 50' ' ' CYS . 1.8 mt -98.35 -11.37 22.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 51.77 17.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.945 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.74 166.6 35.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.966 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.1 Cg_endo -75.05 120.07 5.9 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.416 1.745 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -66.01 -2.17 3.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.202 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 26' ' ' PRO . 33.8 p -81.61 -40.19 23.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.185 . . . . 0.0 110.022 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.966 HG22 ' O ' ' A' ' 26' ' ' PRO . 35.4 m -64.28 -36.39 76.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.57 -32.13 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.481 ' O ' HD12 ' A' ' 4' ' ' ILE . . . -68.15 -18.56 64.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -65.46 -35.88 82.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.827 HD13 ' CZ3' ' A' ' 37' ' ' TRP . 3.6 tp -50.51 -48.96 56.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.539 ' CD1' ' HB3' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -51.02 -29.23 12.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -85.33 -67.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 169.45 53.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.827 ' CZ3' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.18 9.66 27.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.046 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -46.54 -54.19 9.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.206 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.34 -35.5 67.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 52.2 t0 -71.31 84.52 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.83 ' CZ ' HG22 ' A' ' 42' ' ' VAL . 28.3 t80 -81.86 163.31 22.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.83 HG22 ' CZ ' ' A' ' 41' ' ' TYR . 29.4 m -38.71 -30.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -40.04 -26.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -113.85 -50.04 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.85 93.46 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.503 ' HA ' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -66.86 -40.55 87.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.696 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -46.02 -42.97 13.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.93 -32.81 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.196 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.486 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -75.35 -32.29 55.61 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.407 1.067 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.58 ' HB3' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -81.03 -40.42 24.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.476 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . . . -61.06 -48.6 80.99 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.593 1.183 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -61.41 -40.22 85.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.05 -42.44 98.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.644 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -67.72 -21.05 65.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 108.299 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.767 HD22 ' HB3' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -52.72 -37.88 59.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.901 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -75.63 -11.58 60.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.405 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.654 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -12.94 -61.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 110.417 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.664 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -111.74 95.66 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.901 HD23 ' O ' ' A' ' 56' ' ' ALA . 6.4 mt -60.79 -17.04 47.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -67.82 -22.25 65.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.241 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.5 m -82.51 -41.68 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.431 1.082 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.661 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.18 -45.54 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -123.31 109.74 31.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.591 1.182 . . . . 0.0 109.339 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.89 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -111.32 -0.88 16.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 105.36 46.05 1.27 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -53.32 -36.02 60.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.325 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.997 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.48 -173.81 1.77 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.499 ' N ' HD13 ' A' ' 68' ' ' LEU . 57.4 m80 -144.73 117.94 8.95 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.095 . . . . 0.0 109.537 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 16.6 t60 -42.01 140.09 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.522 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.54 -45.61 3.12 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 1.7 t30 -124.43 77.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 109.316 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.0 130.81 44.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -60.88 172.2 1.02 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.325 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.53 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.5 OUTLIER -69.8 -1.89 10.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -88.54 -46.0 9.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.537 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . . . -65.33 -58.33 6.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.53 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -76.55 41.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.608 1.192 . . . . 0.0 111.011 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.486 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 7.8 tmtt? -149.59 -53.34 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.155 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -5.69 27.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.87 39.93 0.5 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.089 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.503 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.05 131.02 45.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.18 139.16 54.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.48 -33.32 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 1.2 t -75.95 -44.71 38.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.881 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.35 -24.01 41.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 110.941 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -53.93 -61.13 2.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.441 ' HA ' ' CG2' ' A' ' 91' ' ' VAL . 0.7 OUTLIER -88.63 -40.6 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.9 mt-30 -42.29 -61.43 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.261 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.881 HD22 ' SD ' ' A' ' 86' ' ' MET . 9.8 mp -47.19 -42.22 19.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.412 1.07 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.568 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 3.2 t -54.95 -16.31 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 1.5 m-20 -76.63 -69.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.61 -47.08 90.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.66 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.53 -25.68 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.6 m170 -75.96 -30.52 58.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.421 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -87.14 -23.97 39.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -90.16 -60.77 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.9 OUTLIER -45.65 -35.42 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.64 1.212 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -71.39 -30.81 66.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.45 -8.67 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 110.037 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.607 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -117.88 79.68 13.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -75.05 173.5 14.41 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.793 . . . . 0.0 110.988 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 42.83 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 102' ' ' PRO . 3.4 t-20 -61.73 150.04 37.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.425 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.9 OUTLIER -54.68 -21.6 11.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' MET . 4.2 m-20 -83.61 28.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 105' ' ' ASP . 22.3 pttt -40.51 -29.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.457 ' N ' ' C ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -54.97 -50.63 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.334 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 4.1 ptt? -101.36 -4.31 27.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -90.14 -79.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 114' ' ' VAL . 98.0 m -45.83 -44.34 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.732 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -46.72 -46.01 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 1.5 t70 -43.75 -43.52 6.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.607 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -77.96 -53.0 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.25 -20.94 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.469 ' CG ' HD11 ' A' ' 112' ' ' ILE . 5.6 mmm -102.97 -35.35 8.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 2.4 t -44.31 -54.77 5.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.364 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.82 ' CE1' HD21 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -65.14 -35.69 81.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -31.97 73.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -27.93 69.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.508 ' OE2' HG21 ' A' ' 93' ' ' ILE . 6.9 mm-40 -57.38 -27.5 62.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.652 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.4 mm -80.14 -39.73 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.427 1.079 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.454 ' CD2' ' C ' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -49.0 -21.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -99.41 28.91 4.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.765 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -44.43 -103.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.515 ' H ' HD13 ' A' ' 125' ' ' LEU . 8.2 t30 -103.82 -29.82 10.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.371 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.759 ' H ' HD13 ' A' ' 125' ' ' LEU . 25.6 p-90 -108.61 145.36 35.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 107.977 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 64.7 t -116.82 113.84 39.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 49.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -44.86 -35.23 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.62 109.42 21.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.579 1.174 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -128.95 125.1 36.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.869 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.3 111.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.224 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.416 HG12 HD13 ' A' ' 135' ' ' ILE . 6.2 p -116.4 -7.91 12.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.502 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.62 -20.85 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.766 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 75.65 31.95 55.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -131.23 170.7 14.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 0.74 . . . . 0.0 110.338 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 138' ' ' VAL . 16.0 m -65.77 114.33 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.398 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 175.18 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -90.82 164.79 13.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 85.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 9.9 mm-40 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.4 mm -57.75 -38.44 65.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.82 -9.1 27.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -110.1 106.72 16.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -118.65 139.33 51.69 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 9' ' ' SER . 1.2 tt -63.53 -179.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.548 ' N ' HD23 ' A' ' 8' ' ' LEU . 28.1 t -48.98 -92.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.494 ' O ' ' C ' ' A' ' 11' ' ' ASN . 2.2 m-80 -119.19 -38.2 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.242 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -33.35 -37.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.905 ' CE1' HD21 ' A' ' 55' ' ' LEU . 23.6 m-85 -113.8 -64.94 1.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.411 1.069 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.99 -42.82 8.2 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 12.6 ttpt -72.46 -51.56 19.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 0.719 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.835 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -55.47 -42.37 74.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.605 1.191 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.595 ' HG3' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -67.22 -44.9 78.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.58 -37.65 85.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 16.8 mt-30 -71.88 -40.83 68.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.499 ' O ' HD12 ' A' ' 25' ' ' LEU . 90.9 m -65.33 -35.01 79.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -67.37 -7.14 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.616 1.197 . . . . 0.0 109.308 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.8 -68.06 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.474 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 1.7 pt-20 -49.09 -42.98 40.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD13 ' HB3' ' A' ' 50' ' ' CYS . 35.0 mt -97.95 -10.84 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 49.85 17.79 0.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 0.0 110.057 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.739 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -85.17 167.65 24.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.88 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -74.99 120.45 6.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 27.3 p-10 -68.34 -1.49 6.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 26' ' ' PRO . 13.2 p -82.57 -40.17 21.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.88 HG22 ' O ' ' A' ' 26' ' ' PRO . 24.9 m -64.59 -36.8 78.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.595 HG11 ' HG3' ' A' ' 16' ' ' MET . 9.2 p -77.45 -32.37 18.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.44 -17.62 63.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -75.18 -19.82 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.238 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.678 HD12 ' CG ' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -59.39 -50.84 72.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.506 ' OH ' ' CE2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -55.58 -21.44 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 36' ' ' PHE . 1.2 m-20 -78.63 -72.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 35' ' ' ASN . 9.7 p90 172.87 46.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.678 ' CG ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.24 13.67 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -43.66 -55.75 4.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.466 ' N ' ' HB2' ' A' ' 123' ' ' HIS . 0.6 OUTLIER -63.87 -32.25 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.513 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 43.1 t0 -70.14 59.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.598 ' CD1' ' CB ' ' A' ' 43' ' ' MET . 0.1 OUTLIER -63.25 172.65 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.835 HG11 ' CE ' ' A' ' 109' ' ' MET . 14.5 t -41.4 -35.41 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.598 ' CB ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -38.74 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 111.032 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -109.49 -49.78 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.42 98.73 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.744 ' HA ' HG13 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -66.07 -43.2 88.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.659 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -46.78 -43.47 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' HB1' HD11 ' A' ' 33' ' ' LEU . . . -55.12 -32.96 62.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.548 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -75.51 -32.05 55.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.711 ' HB3' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -81.93 -42.6 19.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.589 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . . . -55.96 -48.72 75.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.553 ' CD1' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -65.27 -35.75 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.405 ' ND2' ' HB ' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -58.39 -51.25 70.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.626 ' O ' HG22 ' A' ' 57' ' ' THR . 1.6 p -68.2 -25.09 65.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.35 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.905 HD21 ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -51.24 -36.17 40.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.871 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -74.29 -12.22 60.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.628 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.92 -60.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.737 ' HG2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -111.74 105.62 14.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.871 HD23 ' O ' ' A' ' 56' ' ' ALA . 3.6 mt -72.12 -21.95 61.4 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -35.06 77.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.737 HG13 ' HG2' ' A' ' 58' ' ' LYS . 31.3 m -84.97 -38.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.23 -45.44 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.445 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.5 OUTLIER -125.53 106.24 27.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -42.38 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.62 4.4 20.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.445 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.22 47.63 2.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -52.6 -37.65 58.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 0.716 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.996 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -174.05 -173.4 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.536 ' N ' HD13 ' A' ' 68' ' ' LEU . 78.6 m-70 -145.31 120.32 10.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.652 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.403 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 35.8 t60 -48.05 141.29 6.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.646 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 -45.9 3.21 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.606 1.191 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -128.91 81.02 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.776 . . . . 0.0 109.358 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -62.22 129.47 40.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -61.61 172.69 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.857 ' HA ' ' HE1' ' A' ' 78' ' ' MET . 2.9 m-20 -72.54 7.98 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 74' ' ' LYS . 5.7 m-85 -104.87 -28.99 10.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.786 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -68.16 -76.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.354 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.857 ' HE1' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -74.39 43.12 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.774 ' HB2' ' HE2' ' A' ' 78' ' ' MET . 3.6 tppt? -143.56 -51.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -67.82 -6.5 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.564 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -145.22 23.24 1.9 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.668 ' HB1' ' CB ' ' A' ' 86' ' ' MET . . . -132.41 160.49 36.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 0.747 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -95.8 149.86 21.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.72 -30.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 83' ' ' ASP . 1.5 t -66.36 -41.77 89.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.349 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.668 ' CB ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -45.24 -38.75 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 110.979 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -48.47 -49.28 36.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.17 -45.36 7.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 2.1 mt-30 -44.28 -56.73 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.636 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 9.0 mp -47.02 -49.34 21.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.542 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.5 t -54.69 -14.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 27.9 t0 -79.71 -71.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.636 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.37 -47.52 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.378 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.565 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -51.69 -24.63 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.399 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 0.9 OUTLIER -76.21 -30.38 57.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 109.639 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -87.49 -23.89 38.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.3 m -90.62 -61.19 1.73 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.6 tm-20 -45.59 -32.57 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.97 -30.72 61.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.357 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.25 -8.28 33.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.431 1.082 . . . . 0.0 110.052 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.597 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -116.88 80.85 11.47 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.432 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.11 172.37 16.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 43.57 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.432 ' H ' ' C ' ' A' ' 102' ' ' PRO . 3.3 t-20 -61.87 148.73 42.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -55.24 -23.16 21.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.3 OUTLIER -83.67 30.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 105' ' ' ASP . 17.7 mtmt -40.21 -30.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 106' ' ' ASP . 12.2 t -54.86 -48.94 72.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 108.267 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.835 ' CE ' HG11 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -101.16 -6.73 23.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.984 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -89.41 -79.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 114' ' ' VAL . 10.9 m -43.66 -42.42 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.413 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.723 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -44.57 -46.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.492 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -42.54 -42.4 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.597 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -81.66 -49.07 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.226 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.79 -22.03 1.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.468 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 13.1 ptt? -102.74 -29.25 11.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 116' ' ' MET . 2.3 t -53.95 -47.46 71.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.317 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.463 ' CE1' HD21 ' A' ' 90' ' ' LEU . 2.0 t80 -63.88 -46.19 86.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -30.69 71.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -29.28 62.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.591 ' OE1' HD12 ' A' ' 90' ' ' LEU . 35.7 mt-10 -59.09 -35.59 73.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.63 HD13 ' N ' ' A' ' 122' ' ' ILE . 2.0 mm -75.76 -37.29 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.58 ' CE1' ' HG3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -46.89 -19.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.679 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.482 ' N ' ' C ' ' A' ' 122' ' ' ILE . 22.2 mtpt -95.57 26.15 4.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.817 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -46.04 -95.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.705 ' H ' HD13 ' A' ' 125' ' ' LEU . 10.4 t30 -97.66 -20.1 17.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.198 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.817 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -90.25 138.79 31.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 31.1 m -119.44 117.31 33.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.58 ' HG3' ' CE1' ' A' ' 123' ' ' HIS . 18.1 Cg_endo -75.06 50.24 2.49 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' PRO . 18.5 p-10 -40.26 -29.88 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.436 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -111.85 105.13 13.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.558 ' O ' ' HB1' ' A' ' 140' ' ' ALA . 1.6 m-20 -129.7 123.17 30.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -161.89 124.11 2.9 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.622 1.201 . . . . 0.0 109.298 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.49 ' HB ' HD13 ' A' ' 135' ' ' ILE . 72.2 t -115.18 -59.47 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.49 HD13 ' HB ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -105.63 -14.75 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.41 24.02 52.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -105.79 174.17 6.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.645 ' O ' HG23 ' A' ' 138' ' ' VAL . 14.3 m -65.8 100.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.68 -47.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' A' ' 132' ' ' ASP . . . -90.28 164.9 14.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.66 84.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.633 HD11 ' OD1' ' A' ' 35' ' ' ASN . 4.3 mm -57.37 -38.17 61.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -1.63 40.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -124.03 106.37 10.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -118.81 139.56 51.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.748 HD13 ' H ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -62.97 178.09 0.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.748 ' H ' HD13 ' A' ' 8' ' ' LEU . 46.7 m -48.07 -97.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 12' ' ' PHE . 77.9 m-20 -121.87 -39.05 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.496 ' CG ' ' HB ' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -32.96 -37.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.44 1.088 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.918 ' CE2' HD21 ' A' ' 55' ' ' LEU . 13.0 m-85 -115.11 -66.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.41 1.069 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.506 ' HA2' ' SD ' ' A' ' 16' ' ' MET . . . -43.67 -35.97 3.26 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -80.79 -41.51 23.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 0.73 . . . . 0.0 109.372 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -57.28 -48.45 78.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.529 ' HE3' ' O ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.96 -37.17 69.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.21 -44.36 84.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' NE2' ' HD3' ' A' ' 14' ' ' LYS . 14.3 mt-30 -71.18 -33.56 70.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.765 ' SG ' HD12 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -65.7 -35.59 81.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 108.189 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -64.99 -7.31 11.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.69 -68.55 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.516 ' HG2' ' HA ' ' A' ' 19' ' ' CYS . 2.3 pt-20 -50.27 -44.44 53.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.765 HD12 ' SG ' ' A' ' 19' ' ' CYS . 58.7 mt -98.24 -9.94 24.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.549 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 49.09 18.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -81.81 168.71 22.27 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.978 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.5 Cg_endo -74.93 119.89 5.86 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 52.9 p-10 -67.76 -1.15 4.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.224 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 26' ' ' PRO . 33.7 p -81.66 -39.16 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.978 HG22 ' O ' ' A' ' 26' ' ' PRO . 34.7 m -61.69 -36.66 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.421 ' HA ' ' CZ3' ' A' ' 37' ' ' TRP . 12.0 p -77.6 -31.19 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.185 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.582 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -68.03 -17.56 64.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -78.97 -19.69 51.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.374 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.841 HD22 ' O ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -56.65 -52.53 64.55 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.45 1.094 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.66 -23.68 67.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.633 ' OD1' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -77.9 -76.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.177 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 40.8 p90 173.91 66.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.728 ' NE1' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -90.5 8.42 33.99 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -58.37 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -68.34 -34.36 75.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 37' ' ' TRP . 11.3 t0 -77.31 94.03 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.558 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 53.3 t80 -102.04 173.74 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.801 HG13 ' CA ' ' A' ' 46' ' ' ARG . 49.0 t -39.33 -29.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.544 1.153 . . . . 0.0 109.231 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' TYR . 2.2 tpp -38.48 -28.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -105.91 -57.11 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.659 ' OD2' HD23 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -138.8 106.06 5.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.801 ' CA ' HG13 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -59.56 -33.86 71.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.823 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -46.84 -43.98 19.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HB1' ' CZ3' ' A' ' 37' ' ' TRP . . . -55.9 -33.0 64.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.569 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -81.48 -30.54 36.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.79 -43.03 26.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.04 -46.93 75.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.537 HG22 ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -59.84 -42.16 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.05 -43.51 91.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.61 ' O ' HG22 ' A' ' 57' ' ' THR . 0.5 OUTLIER -67.87 -28.65 67.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.918 HD21 ' CE2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -52.96 -34.97 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.32 -12.93 61.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.198 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.72 -58.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.761 ' O ' HG22 ' A' ' 61' ' ' VAL . 8.9 mmtt -111.51 101.89 10.27 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.473 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -71.9 -19.6 61.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -34.84 79.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 58' ' ' LYS . 27.2 m -84.18 -37.76 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.79 -43.26 80.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 2.2 p-10 -131.34 106.12 14.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 109.226 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.579 1.831 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.59 3.89 19.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.457 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.33 44.15 2.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -50.64 -37.57 41.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 0.795 . . . . 0.0 109.249 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.023 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.43 -174.4 0.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.527 ' N ' HD13 ' A' ' 68' ' ' LEU . 11.7 m-70 -146.45 116.49 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.539 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -41.43 140.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.587 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.84 -45.5 3.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 111.065 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.429 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 2.1 t30 -127.57 81.18 2.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 0.75 . . . . 0.0 109.246 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.46 127.63 32.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.392 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 76' ' ' PHE . 7.8 mttm -60.69 172.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.54 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 66.4 m-20 -70.41 1.68 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 109.23 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' H ' ' C ' ' A' ' 74' ' ' LYS . 18.9 m-85 -88.59 -45.64 9.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -64.29 -58.86 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.54 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -77.48 41.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 111.048 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.477 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 11.7 tttt -152.81 -51.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -68.29 -6.2 22.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 0.0 109.569 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -152.72 23.86 0.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.825 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.43 134.46 46.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.562 ' O ' ' CG ' ' A' ' 86' ' ' MET . 7.6 m-20 -78.99 147.71 32.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -41.77 -31.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.413 ' OG1' ' HG3' ' A' ' 89' ' ' GLN . 1.3 t -64.27 -37.84 88.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.364 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.825 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -52.64 -29.21 25.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.474 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -52.92 -51.7 60.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.4 ' O ' ' OD1' ' A' ' 92' ' ' ASP . 0.4 OUTLIER -94.12 -45.47 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.241 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.5 mt-30 -44.75 -63.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.782 ' O ' HD13 ' A' ' 93' ' ' ILE . 33.5 mt -48.57 -44.69 36.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.598 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.1 t -55.28 -20.07 6.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 7.3 m-20 -71.56 -69.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.782 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.32 -46.89 91.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.638 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -53.48 -25.99 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.598 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.5 m170 -76.15 -31.14 58.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.657 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.432 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.13 -23.59 37.37 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.5 -62.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -45.08 -35.66 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.1 OUTLIER -72.3 -30.61 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.97 -7.13 37.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.924 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.53 84.26 11.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.57 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -75.08 176.29 10.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.428 1.751 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.06 47.25 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -63.8 141.5 58.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' A' ' 107' ' ' LYS . 7.3 m-20 -56.25 -18.49 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.4 OUTLIER -81.4 32.13 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 25.7 pttt -41.46 -25.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.4 1.062 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.49 ' N ' ' C ' ' A' ' 106' ' ' ASP . 25.5 t -60.09 -51.39 69.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -103.31 -4.73 23.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.57 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.5 -70.63 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.2 m -51.98 -43.21 63.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.742 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.6 -43.36 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.417 ' CG ' ' OH ' ' A' ' 41' ' ' TYR . 3.8 t0 -45.84 -54.03 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.388 1.055 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.56 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -71.72 -50.07 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.22 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -51.02 -20.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.478 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.52 -35.97 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.7 t -41.95 -50.06 4.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.522 1.139 . . . . 0.0 108.311 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.2 OUTLIER -65.75 -46.13 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -59.93 -30.19 68.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.5 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.6 OUTLIER -61.47 -28.65 69.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.462 ' CD ' HG21 ' A' ' 93' ' ' ILE . 10.2 mm-40 -58.29 -28.64 65.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.238 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.674 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.6 mm -77.42 -37.56 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -47.12 -20.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.636 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.529 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -97.79 28.26 3.97 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.771 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -45.5 -103.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.509 ' H ' HD13 ' A' ' 125' ' ' LEU . 38.6 m-80 -101.33 -30.54 11.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.729 ' H ' HD13 ' A' ' 125' ' ' LEU . 8.8 p-90 -107.68 139.55 42.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.0 m -115.93 113.31 42.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 49.94 2.4 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.448 1.762 . . . . 0.0 110.987 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -40.98 -32.66 0.25 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.86 106.69 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.572 ' O ' HG23 ' A' ' 134' ' ' VAL . 0.8 OUTLIER -114.01 124.34 51.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.812 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.8 126.08 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 132' ' ' ASP . 55.0 t -113.64 -51.95 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.434 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.494 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.09 -15.26 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.02 33.14 18.95 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.16 162.5 12.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 138' ' ' VAL . 16.4 m -65.55 101.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.376 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 179.4 -46.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -96.89 164.93 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.46 86.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.387 1.054 . . . . 0.0 109.339 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 5.7 mp0 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.538 HG23 ' HB1' ' A' ' 31' ' ' ALA . 4.2 mm -58.93 -37.75 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -1.6 53.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.403 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 12.4 tttp -115.4 105.07 12.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.394 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -131.1 139.63 49.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.807 HD13 ' N ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -60.06 170.5 1.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.807 ' N ' HD13 ' A' ' 8' ' ' LEU . 59.7 m -46.85 -78.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.402 1.063 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' PHE . 39.1 m-80 -121.23 -38.84 2.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.427 1.079 . . . . 0.0 109.359 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.643 HD22 HG13 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -36.78 -33.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.474 ' CD1' HD21 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -115.64 -69.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.15 -34.03 1.41 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 1.6 tmmm? -81.19 -53.72 6.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.754 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.733 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -57.75 -42.99 85.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.512 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 30.0 mmt -64.48 -42.67 95.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.33 -47.52 56.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 10.2 mt-30 -64.27 -40.13 95.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.486 ' O ' HD12 ' A' ' 25' ' ' LEU . 8.1 m -59.71 -39.02 83.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 108.324 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -67.96 -5.32 16.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -112.03 -69.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -45.25 -44.38 11.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 50' ' ' CYS . 0.2 OUTLIER -98.74 -11.98 21.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 52.26 17.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.378 1.049 . . . . 0.0 110.065 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.96 167.3 28.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.758 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.6 Cg_endo -74.87 121.26 6.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.557 ' HA ' HG12 ' A' ' 30' ' ' VAL . 45.8 t0 -68.2 -0.89 5.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 26' ' ' PRO . 26.9 p -81.47 -41.97 20.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 26' ' ' PRO . 14.4 m -65.29 -36.45 77.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 27' ' ' ASP . 12.6 p -77.74 -32.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.538 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -68.47 -17.05 64.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.56 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 66.8 t0 -75.85 -32.39 59.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' N ' ' HE1' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -53.92 -28.05 34.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.361 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -73.44 -26.0 60.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.61 1.194 . . . . 0.0 110.992 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.577 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -70.3 -74.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CG ' ' C ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER 159.99 34.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.612 ' CZ3' ' CG ' ' A' ' 40' ' ' ASP . 1.2 p-90 -93.66 24.64 3.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 107.966 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 85.0 mttt -48.08 -40.82 24.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -49.47 -23.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.612 ' CG ' ' CZ3' ' A' ' 37' ' ' TRP . 10.3 t70 -89.02 93.27 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 120' ' ' LYS . 2.1 m-85 -87.83 175.64 7.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.909 HG22 ' HA ' ' A' ' 46' ' ' ARG . 25.1 t -40.12 -29.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.235 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -40.45 -25.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.958 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -112.48 -59.14 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -132.78 106.17 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.909 ' HA ' HG22 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -71.28 -33.77 70.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.817 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -47.75 -44.18 27.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -57.28 -32.2 66.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.463 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.29 -30.36 34.17 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.58 ' HB3' HD22 ' A' ' 23' ' ' LEU . 1.1 m -79.22 -43.83 23.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -59.44 -48.21 82.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -59.88 -40.12 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -42.7 99.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.628 ' O ' HG22 ' A' ' 57' ' ' THR . 0.0 OUTLIER -65.71 -18.35 65.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 108.35 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.733 HD22 ' CB ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -53.07 -34.92 58.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.24 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.863 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -74.9 -12.39 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.637 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -15.69 -58.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.438 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 1.108 ' O ' HG22 ' A' ' 61' ' ' VAL . 10.1 mmtt -109.12 105.58 15.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 56' ' ' ALA . 4.8 mt -72.27 -15.49 61.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -29.88 61.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.108 HG22 ' O ' ' A' ' 58' ' ' LYS . 24.5 m -76.08 -36.74 31.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.72 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -83.9 -46.38 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.375 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.474 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -125.8 110.08 25.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -41.12 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 3.19 20.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.59 44.42 2.31 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.413 ' H ' ' CB ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -50.93 -36.56 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.005 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -170.1 -174.3 1.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.48 ' N ' HD13 ' A' ' 68' ' ' LEU . 56.6 m-70 -146.04 114.13 6.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.569 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.533 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 9.7 t60 -37.95 142.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.33 -45.76 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 2.6 t30 -125.29 75.03 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.05 130.43 43.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 171.64 1.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 109.242 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.524 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 2.2 m-20 -69.75 -2.25 11.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.282 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -88.79 -46.07 9.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -63.18 -58.51 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.524 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -78.12 41.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.939 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.483 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 15.4 tptt -153.53 -53.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.379 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -5.77 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -159.54 36.36 0.47 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.529 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.75 130.51 43.85 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.578 0.811 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -69.95 140.41 53.01 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.446 1.091 . . . . 0.0 109.373 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -44.78 -33.18 1.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.3 t -77.83 -44.18 28.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.435 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.675 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.63 -26.13 55.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.439 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -63.72 -49.07 74.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.21 -47.31 9.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.553 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 24.2 mm100 -42.8 -55.57 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.675 HD22 ' SD ' ' A' ' 86' ' ' MET . 7.4 mp -46.48 -47.26 19.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.562 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.0 t -53.96 -15.44 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.483 1.115 . . . . 0.0 109.375 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -78.15 -71.03 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.638 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.13 -47.28 85.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.596 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.0 -24.02 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -75.65 -31.34 59.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.577 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.77 -23.69 35.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.572 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.7 OUTLIER -89.0 -63.88 1.23 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 4.7 tt0 -45.28 -33.1 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.41 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 12.2 pttt -73.99 -31.45 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.56 -8.82 34.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.621 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -117.5 79.95 12.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.425 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.97 173.2 14.91 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 43.2 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' A' ' 102' ' ' PRO . 6.2 t-20 -62.02 147.99 45.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.421 ' C ' ' H ' ' A' ' 107' ' ' LYS . 10.7 p-10 -53.09 -26.15 15.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 109' ' ' MET . 17.4 m-20 -83.55 29.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 105' ' ' ASP . 2.7 pttt -40.2 -29.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 106' ' ' ASP . 7.7 t -51.82 -47.24 64.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 108.3 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 106' ' ' ASP . 12.0 ttt -101.77 -7.56 22.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -90.2 -79.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.7 m -43.26 -42.91 4.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.741 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -45.91 -45.81 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.591 1.182 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.52 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 4.4 t0 -42.44 -50.97 5.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.621 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.77 -58.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.02 -22.61 0.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 120' ' ' LYS . 38.0 ttp -101.34 -35.77 9.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.606 1.192 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 0.8 OUTLIER -47.73 -45.78 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.3 OUTLIER -63.86 -51.26 65.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -62.88 -30.32 71.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -61.39 -26.3 67.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.575 ' OE2' HD11 ' A' ' 93' ' ' ILE . 43.9 mt-10 -56.66 -36.62 69.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 110.362 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.649 HD13 ' N ' ' A' ' 122' ' ' ILE . 2.2 mm -64.72 -36.21 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -46.28 -21.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 0.0 109.536 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.54 ' O ' ' O ' ' A' ' 125' ' ' LEU . 1.9 ptmt -97.88 28.84 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.753 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -45.46 -102.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.524 ' H ' HD13 ' A' ' 125' ' ' LEU . 9.8 t30 -103.2 -30.04 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.738 ' H ' HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -107.37 136.46 47.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 107.994 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.1 m -121.42 89.41 47.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 49.47 2.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -47.78 -29.32 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.2 mtt -123.87 102.57 7.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.443 1.09 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.553 ' O ' HG13 ' A' ' 134' ' ' VAL . 18.9 t70 -130.37 98.05 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.603 1.189 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.821 HD23 ' HA2' ' A' ' 136' ' ' GLY . 0.0 OUTLIER -62.63 111.61 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 132' ' ' ASP . 26.1 m -116.22 -11.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.483 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.29 -20.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.258 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.821 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 82.63 32.4 27.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.31 169.49 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.618 ' O ' HG23 ' A' ' 138' ' ' VAL . 12.9 m -75.65 103.38 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -175.18 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.481 ' HB3' ' CA ' ' A' ' 133' ' ' LEU . . . -110.89 165.1 12.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -70.89 92.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.621 HG23 ' HG ' ' A' ' 133' ' ' LEU . 10.4 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.575 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 7.8 mm-40 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.2 mm -57.95 -39.0 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -2.69 24.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 111.061 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -125.63 106.45 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -119.0 139.06 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.583 HD11 ' N ' ' A' ' 12' ' ' PHE . 2.2 pp -69.72 -166.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.476 ' O ' ' O ' ' A' ' 8' ' ' LEU . 25.1 m -47.78 -101.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' A' ' 12' ' ' PHE . 13.1 m-20 -124.22 -33.8 3.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.547 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -29.79 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.616 ' N ' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -110.57 -65.77 1.13 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.973 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.85 -38.82 4.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -73.87 -54.93 6.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 0.805 . . . . 0.0 109.352 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.767 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -55.96 -35.77 67.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.64 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -69.85 -48.96 56.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -67.37 -38.74 85.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 16.1 mt-30 -71.13 -42.09 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.373 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.526 ' O ' HD12 ' A' ' 25' ' ' LEU . 16.8 m -61.85 -37.76 85.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.604 1.19 . . . . 0.0 108.345 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -67.28 -5.62 14.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -112.28 -69.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -47.56 -43.68 25.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.17 . . . . 0.0 110.347 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.519 ' HB2' HD12 ' A' ' 25' ' ' LEU . 3.2 mt -98.83 -11.52 21.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.555 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.55 17.8 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.935 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.699 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.08 168.51 22.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.754 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.1 Cg_endo -75.04 119.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.392 1.733 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.585 ' HA ' HG12 ' A' ' 30' ' ' VAL . 48.0 p-10 -67.06 -1.57 4.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.427 ' H ' ' C ' ' A' ' 26' ' ' PRO . 24.2 p -81.29 -42.26 20.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 26' ' ' PRO . 12.2 m -65.32 -36.86 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 27' ' ' ASP . 11.9 p -77.68 -33.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 109.25 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 27' ' ' ASP . . . -69.88 -18.18 63.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 51.2 t0 -74.75 -31.1 61.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.195 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.619 HD12 ' NE1' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -51.77 -38.68 56.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 3' ' ' GLU . 1.6 t80 -73.12 -21.49 60.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 1.6 t30 -69.74 -73.3 0.16 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 159.61 31.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.619 ' NE1' HD12 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -94.76 25.43 4.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 108.004 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 40' ' ' ASP . 2.9 mptt -47.02 -47.71 22.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.543 ' OD1' ' CE1' ' A' ' 123' ' ' HIS . 8.6 t70 -48.66 -24.58 1.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.615 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 10.4 t70 -83.13 90.29 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 55.6 t80 -88.56 174.41 8.09 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.559 ' N ' ' CG ' ' A' ' 41' ' ' TYR . 46.5 t -38.39 -30.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' TYR . 7.9 ptt? -42.42 -24.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.55 -57.95 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.459 ' OD2' HG21 ' A' ' 29' ' ' VAL . 2.0 t70 -129.61 117.34 20.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLY . 1.8 ttt180 -78.58 -39.93 36.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.645 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -46.66 -43.11 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.26 -32.58 56.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.38 1.05 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.509 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -79.48 -30.99 42.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.135 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.94 -46.05 17.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.481 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -54.73 -47.26 74.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.466 HG22 ' C ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -59.68 -38.82 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.401 ' HA ' ' NE2' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -59.61 -47.0 87.3 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.595 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -64.24 -25.73 68.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 108.246 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.767 HD22 ' CB ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -53.19 -34.45 57.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.626 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.39 -12.54 61.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.626 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -17.58 -59.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.405 1.065 . . . . 0.0 110.424 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.645 ' O ' HG22 ' A' ' 61' ' ' VAL . 11.5 mmtt -111.36 96.12 5.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.688 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -64.13 -15.63 60.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 0.0 109.23 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -69.89 -22.8 63.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.3 m -82.32 -41.1 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.688 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.59 -45.56 21.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.417 ' HB2' ' N ' ' A' ' 67' ' ' ASN . 4.6 p30 -122.71 103.43 37.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 -42.06 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.82 1.71 16.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.83 39.52 2.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.586 1.178 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.417 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 53.1 t30 -52.84 -37.86 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.002 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -166.37 -175.95 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.498 ' N ' HD13 ' A' ' 68' ' ' LEU . 7.8 m-70 -146.83 118.91 8.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.54 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.557 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 10.2 t60 -42.32 140.91 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.539 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.16 -45.3 3.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 3.1 t30 -125.84 73.5 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.617 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -60.77 131.25 50.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 76' ' ' PHE . 1.3 mttt -60.64 170.76 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.59 ' HA ' ' HE1' ' A' ' 78' ' ' MET . 99.3 m-20 -72.66 5.49 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.439 ' H ' ' C ' ' A' ' 74' ' ' LYS . 2.0 t80 -105.56 -29.31 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -64.24 -78.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.806 ' HE2' ' HB2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -74.34 42.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.035 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.806 ' HB2' ' HE2' ' A' ' 78' ' ' MET . 0.6 OUTLIER -145.27 -50.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -6.42 14.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.66 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.93 23.22 2.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB1' ' CB ' ' A' ' 86' ' ' MET . . . -132.62 160.14 37.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -87.63 148.28 24.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -43.12 -27.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.36 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.512 HG22 ' HB2' ' A' ' 83' ' ' ASP . 4.7 t -69.39 -39.45 77.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.562 ' HE3' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -47.58 -37.45 12.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.452 ' N ' ' SD ' ' A' ' 86' ' ' MET . . . -52.26 -48.45 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.85 -52.07 5.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 51.9 mm-40 -41.01 -62.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.859 HD21 ' CE1' ' A' ' 118' ' ' PHE . 4.7 mp -49.3 -45.6 45.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -55.43 -17.26 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 109.389 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 30.7 t0 -75.41 -68.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.685 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.15 -47.13 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.646 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.71 -25.47 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.586 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -75.95 -31.99 59.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.512 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.444 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -90.03 -23.89 31.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.368 1.042 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -89.74 -62.49 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.5 tt0 -44.88 -34.94 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -72.15 -30.89 65.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.55 -8.45 31.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.027 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.592 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -117.25 80.76 12.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 104' ' ' ASN . 17.9 Cg_endo -75.2 171.37 18.42 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 43.2 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 110.969 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.445 ' CB ' ' HG2' ' A' ' 110' ' ' LYS . 6.7 t-20 -62.15 150.17 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 107' ' ' LYS . 24.0 m-20 -55.18 -21.68 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -83.66 30.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 105' ' ' ASP . 0.5 OUTLIER -39.72 -29.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.465 ' N ' ' C ' ' A' ' 106' ' ' ASP . 2.8 t -51.16 -49.53 60.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 108.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.476 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 5.7 ttt -103.53 -4.95 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.445 ' HG2' ' CB ' ' A' ' 104' ' ' ASN . 0.4 OUTLIER -88.65 -75.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.383 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.6 m -50.77 -44.91 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.711 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.58 -45.74 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.408 1.067 . . . . 0.0 109.264 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.418 ' CG ' ' OH ' ' A' ' 41' ' ' TYR . 2.2 t0 -42.08 -48.32 4.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.592 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -76.98 -50.1 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 109.227 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.48 -21.17 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.598 ' SD ' HD11 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -103.81 -35.29 8.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.92 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 1.2 t -48.57 -51.19 28.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 108.237 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.859 ' CE1' HD21 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -65.31 -37.05 85.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -68.09 -30.56 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.453 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -62.73 -31.34 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.375 1.047 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.682 ' CD ' HG21 ' A' ' 93' ' ' ILE . 23.5 mm-40 -58.93 -28.89 66.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.252 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.651 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.6 mm -78.55 -37.81 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.543 ' CE1' ' OD1' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -46.86 -20.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.669 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.467 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 1.6 mtmp? -96.87 27.67 3.87 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.939 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -44.93 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.652 ' H ' HD13 ' A' ' 125' ' ' LEU . 9.7 t-20 -106.15 -3.19 21.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.939 ' CD2' HD11 ' A' ' 125' ' ' LEU . 1.4 m0 -88.82 154.19 20.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.046 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 128' ' ' VAL . 6.3 p -97.85 118.11 64.35 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.467 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.1 Cg_endo -75.04 51.08 2.71 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.489 1.783 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -42.86 -26.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.433 ' N ' ' C ' ' A' ' 129' ' ' PRO . 4.8 ttp -93.09 101.55 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 133' ' ' LEU . 6.0 p-10 -128.17 126.31 40.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.848 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -31.97 120.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.385 1.053 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 132' ' ' ASP . 0.3 OUTLIER -115.65 8.51 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.408 1.068 . . . . 0.0 109.359 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.546 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -97.05 -11.42 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.78 32.55 21.19 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.447 1.092 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.489 ' H ' HD23 ' A' ' 133' ' ' LEU . 5.2 tm-20 -103.71 134.46 46.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.544 ' O ' HG23 ' A' ' 138' ' ' VAL . 14.2 m -66.44 110.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.1 tp -176.57 -75.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.768 ' HB3' HD12 ' A' ' 133' ' ' LEU . . . -78.44 165.46 23.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.198 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.4 89.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.45 ' CA ' HD11 ' A' ' 133' ' ' LEU . 8.4 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.77 HD12 ' HB1' ' A' ' 31' ' ' ALA . 6.8 mm -50.25 -37.8 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -19.5 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -111.32 104.87 13.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -120.28 138.53 53.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.552 HD11 ' HB2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -70.99 -169.36 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.241 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' LEU . 30.1 t -49.48 -101.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 12' ' ' PHE . 10.4 m-20 -124.54 -32.77 3.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.556 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -27.79 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 1.057 ' CE1' HD21 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -108.07 -63.94 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.39 -37.87 3.66 Favored Glycine 0 CA--C 1.532 1.123 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -74.48 -53.16 10.07 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.578 0.811 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.612 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -56.5 -37.05 69.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 109.263 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.721 ' CE ' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -69.41 -47.85 62.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.63 -41.93 87.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 109.247 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.2 mt-30 -69.03 -41.26 77.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 110.217 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' O ' HD12 ' A' ' 25' ' ' LEU . 10.0 m -61.82 -36.86 82.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 108.33 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.548 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -67.47 -5.89 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.24 -69.13 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -46.53 -43.75 17.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.507 ' HB2' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -99.06 -11.82 21.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.0 m 52.35 16.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.717 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.34 168.22 23.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.947 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -74.94 121.91 6.9 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 33.3 p-10 -68.61 -1.97 7.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 p -81.7 -39.58 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.947 HG22 ' O ' ' A' ' 26' ' ' PRO . 29.3 m -63.98 -36.51 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.53 HG11 ' HG3' ' A' ' 16' ' ' MET . 8.8 p -77.88 -33.3 18.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.77 ' HB1' HD12 ' A' ' 4' ' ' ILE . . . -71.93 -17.86 62.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.564 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 50.0 t0 -76.52 -29.75 56.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 33' ' ' LEU . 10.5 mt -50.81 -42.77 58.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -20.4 60.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.552 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -67.18 -73.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER 159.8 29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.564 ' CG ' ' CG ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -95.57 27.25 3.5 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 14.7 mttm -44.69 -56.69 4.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 1.177 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.499 ' HA ' ' CG ' ' A' ' 123' ' ' HIS . 0.7 OUTLIER -47.23 -25.38 0.92 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.381 1.051 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.525 ' OD1' ' CZ3' ' A' ' 37' ' ' TRP . 13.5 t0 -98.74 53.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 38' ' ' LYS . 5.1 m-85 -80.37 -170.39 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.943 HG23 ' HA ' ' A' ' 46' ' ' ARG . 2.4 p -33.93 -35.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.1 ttm -43.6 -24.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.403 1.065 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -118.76 -49.14 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -124.24 98.65 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.943 ' HA ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -58.76 -40.27 83.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.65 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.05 -43.18 19.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.226 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.37 -33.01 65.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -80.97 -28.66 44.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.57 -44.65 20.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.455 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -58.39 -47.06 85.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -60.79 -39.17 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.359 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.04 -45.65 90.22 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.577 ' O ' HG22 ' A' ' 57' ' ' THR . 0.0 OUTLIER -68.37 -26.62 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 108.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.057 HD21 ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -52.64 -35.05 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -70.6 -13.07 61.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.71 -58.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.743 ' O ' HG22 ' A' ' 61' ' ' VAL . 17.0 mmtt -111.39 102.76 11.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.659 HD23 ' CD2' ' A' ' 69' ' ' HIS . 1.1 mp -72.33 -17.75 61.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.66 -32.71 74.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 58' ' ' LYS . 23.6 m -85.92 -38.21 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.439 HG12 ' OD1' ' A' ' 63' ' ' ASP . 1.4 t -72.0 -42.04 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.473 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -133.4 108.19 12.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -42.24 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -111.42 3.6 18.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.473 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.96 46.9 1.83 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -52.53 -36.93 56.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 109.389 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.017 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -173.05 -175.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.659 ' CD2' HD23 ' A' ' 59' ' ' LEU . 28.4 m80 -146.76 117.33 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.65 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.496 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 15.6 p-80 -39.28 140.92 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.476 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.88 -45.16 3.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.427 1.08 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -128.24 81.93 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.85 131.27 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -60.55 170.76 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.387 1.054 . . . . 0.0 109.225 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.502 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 12.2 m-20 -71.68 2.25 5.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 109.364 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.417 ' H ' ' C ' ' A' ' 74' ' ' LYS . 1.3 m-85 -90.06 -45.9 8.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.075 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.57 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -60.74 -58.74 7.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.215 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.502 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -80.26 41.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.951 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.481 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 4.4 tptp -155.35 -48.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 1.8 p-80 -64.81 -6.94 9.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -152.49 22.11 0.83 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.781 ' HB1' ' HG3' ' A' ' 86' ' ' MET . . . -134.01 138.46 45.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.447 ' N ' ' HB3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -69.32 151.02 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -43.86 -34.35 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 t -80.49 -42.72 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.41 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.781 ' HG3' ' HB1' ' A' ' 82' ' ' ALA . 9.1 tpp -53.86 -43.27 69.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.86 -47.65 64.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -38.95 64.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.234 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 9.7 mt-30 -49.78 -53.07 27.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.762 ' O ' HD13 ' A' ' 93' ' ' ILE . 12.8 mt -47.52 -48.09 27.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.493 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 3.5 t -53.63 -18.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 2.1 m-20 -74.88 -68.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.762 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.84 -46.97 87.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.707 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -51.99 -24.96 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.381 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.52 -29.73 56.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.553 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.85 -24.91 31.12 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 100' ' ' SER . 8.8 m -90.54 -61.66 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 3.1 tt0 -45.83 -32.86 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.57 -30.68 61.81 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.408 1.067 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.562 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.65 -7.43 40.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 109.99 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.91 80.7 9.1 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.04 171.54 18.12 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 43.14 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.008 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.457 ' CB ' ' HG2' ' A' ' 110' ' ' LYS . 10.6 t-20 -62.03 150.44 38.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.623 1.202 . . . . 0.0 109.37 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 107' ' ' LYS . 77.3 m-20 -52.29 -25.16 8.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -84.36 28.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -40.31 -29.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.451 ' N ' ' C ' ' A' ' 106' ' ' ASP . 4.7 t -54.43 -49.91 68.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 106' ' ' ASP . 6.2 ptm -102.95 -4.3 24.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.457 ' HG2' ' CB ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -89.23 -79.29 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 114' ' ' VAL . 5.6 m -48.88 -44.79 40.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 110.441 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.697 ' HA ' ' HB3' ' A' ' 115' ' ' ALA . 0.1 OUTLIER -48.04 -47.64 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 1.7 t0 -38.91 -56.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.506 ' HA ' ' HB2' ' A' ' 117' ' ' CYS . 1.5 p -77.96 -47.7 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.697 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -46.71 -25.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.346 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.634 ' SD ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -99.59 -31.03 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.989 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.506 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 7.2 t -40.43 -49.09 2.84 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.153 . . . . 0.0 108.277 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -67.22 -44.22 80.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -59.06 -30.42 68.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.465 ' HG3' ' CD2' ' A' ' 41' ' ' TYR . 13.1 mttt -65.26 -27.08 68.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -57.21 -34.11 68.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.766 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.3 mm -67.7 -39.88 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.499 ' CG ' ' HA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -50.03 -16.3 0.28 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 0.0 109.58 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.492 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -95.85 24.16 5.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.863 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.82 -95.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.623 ' H ' HD13 ' A' ' 125' ' ' LEU . 8.0 m120 -108.83 -4.53 16.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.572 1.17 . . . . 0.0 109.378 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.863 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -92.06 157.41 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 128' ' ' VAL . 22.0 m -100.48 117.72 62.38 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.492 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.1 Cg_endo -75.08 51.34 2.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.6 p30 -39.51 -30.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.455 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -101.34 100.76 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.473 ' HB2' ' CA ' ' A' ' 141' ' ' GLU . 0.4 OUTLIER -126.44 96.18 4.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.893 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -176.19 105.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.504 HG22 HD13 ' A' ' 135' ' ' ILE . 11.6 m -116.31 -14.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.504 HD13 HG22 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -107.41 -20.79 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.91 23.11 75.94 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.4 174.73 9.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 0.779 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 138' ' ' VAL . 16.1 m -65.38 102.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.5 -64.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.36 167.22 22.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.473 ' CA ' ' HB2' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -73.63 85.16 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.419 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 3.9 mt-10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.968 HG23 ' HB1' ' A' ' 31' ' ' ALA . 4.6 mm -56.64 -36.68 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.19 0.33 56.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -121.8 105.1 10.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -123.57 146.91 47.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.915 HD22 ' HB3' ' A' ' 11' ' ' ASN . 1.4 tt -62.0 -179.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.586 ' N ' HD23 ' A' ' 8' ' ' LEU . 40.7 m -49.3 -92.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.516 ' CB ' ' HB2' ' A' ' 14' ' ' LYS . 32.7 m-20 -120.89 -35.77 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.915 ' HB3' HD22 ' A' ' 8' ' ' LEU . 3.7 t30 -38.32 -30.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.705 ' HE1' HD21 ' A' ' 55' ' ' LEU . 4.5 m-30 -113.69 -71.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.35 -34.84 3.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.138 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 15.4 ttpt -78.68 -53.79 6.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . -55.79 -44.32 77.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.43 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 30.7 mmt -67.38 -38.93 85.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.07 -35.39 74.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.506 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 9.6 mt-30 -61.47 -45.11 95.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.578 ' HB2' HD11 ' A' ' 25' ' ' LEU . 5.2 m -58.58 -43.45 89.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 108.312 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' CD ' ' HB3' ' A' ' 27' ' ' ASP . 0.5 OUTLIER -56.1 -13.92 2.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -110.45 -71.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.553 ' HG3' HD23 ' A' ' 23' ' ' LEU . 5.0 pt-20 -57.65 -34.52 69.44 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.582 1.177 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 22' ' ' GLU . 3.9 mm? -98.42 -12.63 21.19 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.431 1.082 . . . . 0.0 109.386 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER 46.0 20.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.594 1.184 . . . . 0.0 110.03 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.655 HD21 HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.64 166.73 21.34 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.761 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -75.05 122.78 7.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.474 ' HB3' ' CD ' ' A' ' 20' ' ' LYS . 20.1 p-10 -68.45 1.1 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 26' ' ' PRO . 14.3 p -83.51 -40.94 18.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 26' ' ' PRO . 15.6 m -65.4 -37.9 81.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.655 HG13 HD21 ' A' ' 25' ' ' LEU . 34.1 m -70.11 -30.49 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.968 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -68.06 -23.35 64.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -63.56 -32.51 74.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.23 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.594 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -50.73 -47.09 59.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.484 ' OH ' ' CD2' ' A' ' 12' ' ' PHE . 81.2 m-85 -58.94 -24.19 62.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 1.4 t-20 -77.47 -73.21 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER 158.62 42.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.658 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.92 19.65 6.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 107.935 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.681 ' HB3' ' CD2' ' A' ' 123' ' ' HIS . 1.5 mttt -46.91 -59.5 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.491 ' CA ' ' HB3' ' A' ' 123' ' ' HIS . 6.9 t70 -48.05 -26.47 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.259 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.588 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 3.4 t70 -69.66 88.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.49 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 3.8 m-85 -72.85 162.04 29.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.465 ' CB ' ' HA ' ' A' ' 46' ' ' ARG . 32.6 m -40.72 -29.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.48 ' HB3' HD13 ' A' ' 139' ' ' LEU . 4.2 ptt? -41.15 -26.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -113.13 -50.18 2.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -133.91 91.39 2.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' GLY . 3.6 ttm-85 -71.54 -38.98 70.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.645 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -48.94 -43.86 40.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' HB1' ' CZ2' ' A' ' 37' ' ' TRP . . . -58.92 -26.25 64.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.5 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.1 -29.52 37.43 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -87.92 -38.92 15.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.518 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . . . -63.5 -48.72 76.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.464 HD13 HD12 ' A' ' 33' ' ' LEU . 1.9 tp -48.64 -36.75 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.08 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 50' ' ' CYS . 0.5 OUTLIER -55.48 -38.88 69.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.717 ' O ' HG22 ' A' ' 57' ' ' THR . 3.3 m -54.89 -29.78 56.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.705 HD21 ' HE1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -52.2 -32.34 35.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.254 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.608 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.47 -17.14 60.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.8 OUTLIER -19.54 -61.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.752 ' O ' HG22 ' A' ' 61' ' ' VAL . 6.9 mmtt -114.75 104.86 12.38 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.423 1.077 . . . . 0.0 109.236 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.575 HD23 ' CD2' ' A' ' 69' ' ' HIS . 1.2 mp -70.65 -20.37 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 109.345 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -35.04 79.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 58' ' ' LYS . 27.4 m -84.97 -37.88 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.38 1.05 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -45.21 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 2.7 p30 -127.1 103.92 22.99 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 -42.67 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.628 1.857 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.1 4.26 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.42 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.75 43.18 2.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 111.04 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.12 -39.52 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.027 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.42 -174.28 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 0.0 109.354 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.575 ' CD2' HD23 ' A' ' 59' ' ' LEU . 48.4 m80 -146.12 117.37 7.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.652 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -42.1 139.37 1.37 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 109.589 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.467 ' HA2' ' CG2' ' A' ' 111' ' ' THR . . . 79.8 -46.21 3.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.431 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 2.1 t30 -126.33 83.46 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -64.55 130.6 44.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -60.43 169.39 1.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 1.0 OUTLIER -72.62 5.86 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.436 ' H ' ' C ' ' A' ' 74' ' ' LYS . 31.7 m-85 -105.05 -29.12 10.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.775 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -65.78 -77.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.637 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.24 42.97 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 111.0 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 77' ' ' ALA . 4.8 tmtt? -143.64 -55.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.38 -6.42 18.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.64 43.31 0.69 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.43 1.081 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 1.008 ' HB1' ' HG2' ' A' ' 86' ' ' MET . . . -130.56 154.67 47.59 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 0.798 . . . . 0.0 109.386 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -96.35 143.99 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.22 -31.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' ' 83' ' ' ASP . 6.0 t -74.35 -42.32 59.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.368 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . 1.008 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.74 -23.59 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -59.47 -53.28 59.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.68 -44.44 9.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.216 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 92' ' ' ASP . 65.8 mm-40 -42.93 -59.24 2.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.456 1.097 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.926 HD21 ' CD1' ' A' ' 118' ' ' PHE . 8.4 mp -45.49 -45.79 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.546 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.4 t -52.58 -16.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 89' ' ' GLN . 6.4 m-20 -77.55 -69.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.41 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.666 HD13 ' H ' ' A' ' 94' ' ' ILE . 0.2 OUTLIER -67.08 -47.22 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.666 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -51.64 -24.45 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.602 1.189 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.37 -32.29 58.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.551 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.24 -23.13 35.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -87.41 -64.18 1.19 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.56 -35.54 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.426 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 19.1 pttt -72.0 -31.08 65.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.5 -7.13 38.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.088 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.589 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -116.03 82.98 11.66 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.53 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.95 175.37 11.31 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.515 1.797 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 45.12 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.477 1.777 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.404 ' H ' ' C ' ' A' ' 102' ' ' PRO . 0.6 OUTLIER -62.29 143.84 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 107' ' ' LYS . 21.5 m-20 -55.88 -20.71 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 109' ' ' MET . 1.0 OUTLIER -82.28 30.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 111' ' ' THR . 5.9 pttt -40.67 -27.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' ASP . 10.3 t -62.04 -51.89 66.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.37 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.503 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -91.4 -12.14 35.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.53 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.8 OUTLIER -90.14 -67.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 12.9 m -40.93 -45.25 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.557 ' C ' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -47.44 -47.29 10.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.318 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 4.5 t0 -41.61 -53.82 3.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.589 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -80.48 -56.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.428 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -43.27 -23.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -102.78 -36.74 8.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 4.7 t -40.14 -54.14 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 108.351 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.926 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -66.67 -35.17 79.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.644 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -69.22 -36.03 76.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.4 OUTLIER -58.44 -31.05 67.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.426 ' OE2' ' CG ' ' A' ' 141' ' ' GLU . 8.5 mm-40 -60.43 -28.85 68.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.582 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.7 mm -82.3 -38.18 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.681 ' CD2' ' HB3' ' A' ' 38' ' ' LYS . 10.0 m170 -47.95 -19.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.567 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -96.97 27.06 4.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.356 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.801 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.37 -95.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.616 ' H ' HD13 ' A' ' 125' ' ' LEU . 11.6 t-20 -98.52 -3.71 35.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.712 ' CD2' HD11 ' A' ' 125' ' ' LEU . 1.7 m0 -90.03 153.76 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 107.997 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.2 m -108.96 117.32 54.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.463 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.3 Cg_endo -75.08 52.21 3.02 Favored 'Trans proline' 0 C--N 1.362 1.256 0 O-C-N 124.448 1.762 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 129' ' ' PRO . 5.3 t30 -39.92 -28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.244 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.463 ' N ' ' C ' ' A' ' 129' ' ' PRO . 4.3 tpp -93.2 101.17 13.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 133' ' ' LEU . 0.4 OUTLIER -122.89 127.19 48.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -34.4 114.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.242 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.461 ' H ' HD13 ' A' ' 135' ' ' ILE . 5.4 p -116.64 6.1 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.565 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -101.77 -5.05 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.235 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.38 29.13 28.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -113.34 134.85 54.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 110.341 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 16.7 m -73.52 122.45 26.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 43' ' ' MET . 0.2 OUTLIER -179.1 -41.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.787 ' HB3' ' H ' ' A' ' 133' ' ' LEU . . . -111.12 165.24 12.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.426 ' CG ' ' OE2' ' A' ' 121' ' ' GLU . 8.2 tm-20 -72.29 91.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.401 1.063 . . . . 0.0 110.306 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.494 ' C ' ' CD1' ' A' ' 133' ' ' LEU . 48.3 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.408 1.068 . . . . 0.0 109.257 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 1.3 mm-40 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 4' ' ' ILE . 5.1 mm -54.6 -38.66 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.22 1.99 42.02 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 111.09 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.595 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -109.35 106.12 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.231 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -130.81 139.56 50.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.019 HD22 ' HB3' ' A' ' 11' ' ' ASN . 1.5 tt -62.25 177.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.625 ' N ' HD23 ' A' ' 8' ' ' LEU . 30.0 t -49.48 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 12' ' ' PHE . 3.9 m-20 -120.78 -38.72 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 1.019 ' HB3' HD22 ' A' ' 8' ' ' LEU . 2.9 t30 -36.24 -32.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.941 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.2 t80 -113.59 -67.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.55 -33.9 3.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 1.3 tmmt? -79.24 -53.32 7.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.606 0.827 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 19' ' ' CYS . . . -58.94 -44.3 91.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.503 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 27.3 mmt -64.51 -38.33 90.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.22 -48.57 33.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 12.8 mt-30 -66.01 -39.68 90.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.523 ' HB3' HD12 ' A' ' 23' ' ' LEU . 29.5 m -61.2 -37.05 81.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 108.34 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 24' ' ' SER . 5.9 ttpt -66.58 -5.5 11.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -69.47 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.623 1.202 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.483 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -45.75 -45.42 14.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.225 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -97.82 -11.86 22.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 51.37 18.24 0.62 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.068 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.669 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -81.47 167.9 28.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.395 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.927 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.4 Cg_endo -74.95 118.57 5.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.517 ' HA ' ' CG2' ' A' ' 30' ' ' VAL . 49.2 p-10 -66.94 -2.16 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.224 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 26' ' ' PRO . 15.8 p -81.78 -40.0 23.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 26' ' ' PRO . 31.3 m -64.25 -36.86 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.191 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.78 ' HA ' HD13 ' A' ' 33' ' ' LEU . 3.0 m -80.26 -32.45 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 27' ' ' ASP . . . -68.79 -17.54 64.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.592 1.182 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -22.47 57.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.78 HD13 ' HA ' ' A' ' 30' ' ' VAL . 8.1 mp -49.94 -50.44 46.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -54.51 -20.54 7.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.433 ' C ' ' CD2' ' A' ' 36' ' ' PHE . 1.4 t-20 -85.99 -71.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CD2' ' C ' ' A' ' 35' ' ' ASN . 2.5 p90 -176.32 69.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.695 ' CZ2' ' CB ' ' A' ' 48' ' ' ALA . 12.0 t-105 -92.13 -3.21 55.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 108.073 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.8 -58.51 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.587 ' HB3' ' CD2' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -68.03 -32.22 72.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.387 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.64 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.9 t0 -68.21 100.95 1.09 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.463 ' C ' ' N ' ' A' ' 43' ' ' MET . 26.2 t80 -101.22 163.11 12.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.861 HG13 ' HA ' ' A' ' 46' ' ' ARG . 92.2 t -40.24 -28.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.463 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -43.73 -23.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.955 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.43 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -107.32 -55.98 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.527 ' OD2' HG21 ' A' ' 29' ' ' VAL . 1.4 t0 -136.72 115.63 12.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.861 ' HA ' HG13 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -77.11 -38.28 52.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.684 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.22 -43.55 21.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.695 ' CB ' ' CZ2' ' A' ' 37' ' ' TRP . . . -55.97 -32.35 63.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.527 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -81.19 -23.3 59.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.656 1.222 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -88.14 -43.95 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.605 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -63.78 -48.64 76.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 48' ' ' ALA . 0.8 OUTLIER -50.33 -47.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -42.34 78.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.637 ' O ' HG22 ' A' ' 57' ' ' THR . 0.5 OUTLIER -57.93 -29.29 65.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.941 HD11 ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -53.28 -33.11 51.82 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.618 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -74.76 -13.82 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.637 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -18.53 -59.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.592 ' O ' HG22 ' A' ' 61' ' ' VAL . 6.3 mttm -112.49 92.48 4.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.361 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.639 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -57.97 -16.16 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.77 -24.11 64.39 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.503 1.127 . . . . 0.0 109.38 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.4 m -80.06 -41.97 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.639 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.63 -45.65 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.8 p-10 -122.99 104.03 36.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -42.09 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.24 0.7 15.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.46 39.33 2.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.424 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 0.6 OUTLIER -53.51 -37.96 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 109.257 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.989 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -166.34 -174.97 3.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.514 ' N ' HD13 ' A' ' 68' ' ' LEU . 5.8 m-70 -146.01 120.37 9.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.52 ' CG ' ' CB ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -45.04 143.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.587 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.71 -45.27 2.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -127.69 75.83 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -64.15 129.67 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 76' ' ' PHE . 3.9 mtpt -61.38 171.13 1.51 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.505 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 70.0 m-20 -71.11 0.81 6.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.21 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.448 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 4.9 t80 -91.42 -40.53 11.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.584 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -63.52 -58.98 5.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.599 ' C ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -81.36 39.59 0.53 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 111.06 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.2 tmtp? -154.76 -53.23 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -65.67 -6.96 12.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.632 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.87 23.74 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.627 ' HB1' ' HG2' ' A' ' 86' ' ' MET . . . -131.59 160.15 36.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.683 ' H ' ' HE3' ' A' ' 86' ' ' MET . 1.8 m-20 -78.89 141.14 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -45.2 -34.46 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.439 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 10.7 t -80.47 -45.68 17.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.683 ' HE3' ' H ' ' A' ' 83' ' ' ASP . 1.8 ttp -54.09 -42.81 69.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -53.26 -47.12 69.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.458 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.5 OUTLIER -75.95 -47.36 25.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 92' ' ' ASP . 20.6 mm100 -44.06 -55.17 4.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.597 1.186 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.18 HD21 ' CE1' ' A' ' 118' ' ' PHE . 1.9 mp -46.16 -45.97 16.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.574 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 7.2 t -52.98 -16.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 89' ' ' GLN . 46.6 t0 -76.44 -69.2 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.678 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.33 -47.03 85.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.67 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -52.26 -24.68 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.218 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.6 m170 -77.02 -28.69 55.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -92.22 -25.6 21.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 100' ' ' SER . 4.6 m -90.67 -65.07 1.05 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -45.75 -31.6 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.363 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 95' ' ' HIS . 3.0 pttt -75.93 -30.6 58.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.561 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.26 -9.35 36.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -118.13 79.63 14.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.438 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.95 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.645 1.866 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 42.92 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 107' ' ' LYS . 3.4 t-20 -61.57 150.57 35.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 107' ' ' LYS . 3.0 m-20 -49.2 -29.13 5.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 109' ' ' MET . 8.9 m-20 -84.65 28.04 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' ASN . 19.9 pttm -40.4 -29.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 106' ' ' ASP . 1.8 t -51.98 -48.34 64.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.479 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 1.3 ttp -103.01 -4.0 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.485 ' O ' ' HB1' ' A' ' 101' ' ' ALA . 1.0 OUTLIER -89.36 -79.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.324 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.428 ' O ' HG13 ' A' ' 114' ' ' VAL . 7.1 m -48.13 -44.44 32.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.682 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.09 -47.51 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 1.3 t0 -39.9 -57.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.468 HG21 ' HB2' ' A' ' 98' ' ' GLU . 1.5 p -76.98 -48.64 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.674 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -45.63 -26.16 0.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.56 ' HG3' HD11 ' A' ' 112' ' ' ILE . 1.8 mmt -103.11 -31.95 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 8.8 t -42.38 -55.24 3.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 1.18 ' CE1' HD21 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -66.28 -34.52 78.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 111.006 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 116' ' ' MET . 6.4 mmtt -57.16 -30.2 64.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.185 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -67.75 -32.91 73.85 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -59.17 -29.19 67.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.899 HD11 ' CE1' ' A' ' 118' ' ' PHE . 3.0 mm -63.7 -39.35 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 39' ' ' ASP . 4.1 t-80 -49.29 -20.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.508 ' O ' ' O ' ' A' ' 125' ' ' LEU . 5.0 mttm -97.97 27.0 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.989 HD11 ' CE2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.26 -99.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.66 ' H ' HD13 ' A' ' 125' ' ' LEU . 9.5 t30 -98.23 -31.05 12.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.989 ' CE2' HD11 ' A' ' 125' ' ' LEU . 4.2 p-90 -103.48 134.56 46.64 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.629 1.206 . . . . 0.0 107.988 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 128' ' ' VAL . 9.9 p -93.92 113.87 61.65 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.411 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.2 Cg_endo -75.0 49.33 2.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -41.77 -30.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.441 ' O ' ' CG ' ' A' ' 131' ' ' MET . 0.0 OUTLIER -94.75 108.61 20.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -129.22 119.12 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.86 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.51 109.79 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.438 HG12 HD13 ' A' ' 135' ' ' ILE . 2.3 p -116.92 -5.56 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.57 -20.33 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.71 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 81.25 23.76 58.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.559 1.162 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -123.58 173.98 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -75.43 117.78 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.397 1.06 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 140' ' ' ALA . 0.5 OUTLIER 177.4 -49.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.603 ' N ' HD23 ' A' ' 139' ' ' LEU . . . -103.85 162.34 13.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.601 1.188 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.25 90.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.235 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.741 HD12 ' HB1' ' A' ' 31' ' ' ALA . 6.2 mm -50.63 -40.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -25.21 63.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.62 109.57 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -116.04 138.07 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.898 HD22 ' N ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -72.26 -164.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.898 ' N ' HD22 ' A' ' 8' ' ' LEU . 29.7 t -52.78 -105.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.632 ' O ' ' N ' ' A' ' 12' ' ' PHE . 5.2 m-20 -130.26 -30.2 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.603 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -23.35 -44.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 1.132 ' CD2' HD11 ' A' ' 55' ' ' LEU . 20.3 m-85 -107.82 -62.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CE ' ' A' ' 16' ' ' MET . . . -41.04 -32.21 0.56 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.395 1.06 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -80.2 -51.29 9.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -60.81 -45.06 95.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.633 ' HE2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -65.36 -35.92 82.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.401 1.063 . . . . 0.0 110.947 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.633 ' N ' ' HE2' ' A' ' 16' ' ' MET . 7.4 t0 -70.87 -49.23 48.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.236 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.459 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.7 mt-30 -68.68 -31.49 70.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.498 ' O ' HD12 ' A' ' 25' ' ' LEU . 2.5 m -65.89 -35.73 81.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.345 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.3 OUTLIER -67.24 -5.39 13.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.507 1.13 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 -68.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -48.47 -42.87 33.94 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.528 ' HB2' HD12 ' A' ' 25' ' ' LEU . 2.2 mt -98.71 -11.73 21.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.63 17.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.948 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.689 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.05 167.42 30.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.779 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.5 Cg_endo -75.05 119.19 5.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.797 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.468 ' HB2' ' CG ' ' A' ' 16' ' ' MET . 54.9 p-10 -68.48 0.08 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 26' ' ' PRO . 4.0 p -81.61 -39.88 23.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.933 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 26' ' ' PRO . 14.5 m -64.74 -37.14 79.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.533 HG11 ' CB ' ' A' ' 51' ' ' ALA . 13.4 m -74.96 -32.37 27.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.741 ' HB1' HD12 ' A' ' 4' ' ' ILE . . . -68.78 -19.05 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.536 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 2.0 t0 -69.43 -25.26 64.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.593 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -57.82 -49.06 77.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.392 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -21.13 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.549 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 1.2 m120 -82.54 -72.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 35' ' ' ASN . 0.0 OUTLIER 160.84 41.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.656 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -92.16 19.01 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 108.061 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.642 ' O ' ' CE2' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -43.44 -58.2 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.484 ' HA ' ' CG ' ' A' ' 123' ' ' HIS . 26.8 p-10 -47.4 -35.32 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.506 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 15.1 t0 -84.41 81.91 8.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.642 ' CE2' ' O ' ' A' ' 38' ' ' LYS . 72.3 m-85 -98.92 -172.69 2.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 46' ' ' ARG . 18.0 m -35.86 -34.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.163 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.3 ptp -40.8 -25.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -120.81 -49.4 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 110.442 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.461 ' OD2' HG21 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -126.46 99.35 5.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.506 ' HA ' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -62.53 -43.68 98.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.671 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.47 -43.39 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.39 64.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.518 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -80.35 -30.81 39.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.049 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.31 -45.48 19.59 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.533 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -56.54 -48.49 77.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -56.47 -38.69 57.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.532 1.145 . . . . 0.0 109.389 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.58 92.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.539 ' O ' HG22 ' A' ' 57' ' ' THR . 0.4 OUTLIER -63.02 -26.73 68.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 1.189 . . . . 0.0 108.294 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.132 HD11 ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -51.95 -34.91 44.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.61 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -68.4 -14.28 62.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.61 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -19.9 -57.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.601 ' O ' HG22 ' A' ' 61' ' ' VAL . 7.5 mmtt -111.79 87.78 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.638 1.211 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.593 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -54.99 -17.74 4.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -67.05 -23.22 65.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.375 1.047 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.8 m -79.72 -42.09 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.593 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.77 -46.25 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -124.4 110.43 28.49 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.396 1.06 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -41.08 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.787 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.45 3.2 17.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 100.64 45.62 1.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.403 ' H ' ' CB ' ' A' ' 63' ' ' ASP . 12.1 t-20 -53.0 -35.77 59.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 0.787 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.979 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.13 -173.57 1.8 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 109.39 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.534 ' N ' HD13 ' A' ' 68' ' ' LEU . 18.9 m-70 -143.41 116.68 9.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.605 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.529 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 5.4 t60 -40.92 141.58 0.58 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.557 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.07 -45.33 3.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -128.54 82.77 2.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 0.72 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.49 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.49 130.05 41.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.551 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -61.67 171.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.504 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 4.0 m-20 -71.04 1.6 5.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.551 ' CE2' ' HG2' ' A' ' 74' ' ' LYS . 9.1 m-85 -91.35 -44.06 9.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.657 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -61.43 -58.93 6.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.532 ' C ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -80.21 39.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.465 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 12.9 tttt -154.13 -54.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.61 1.194 . . . . 0.0 109.203 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.455 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -67.61 -6.22 19.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.591 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.74 25.0 0.73 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.145 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.532 ' HB3' ' C ' ' A' ' 78' ' ' MET . . . -131.06 134.34 46.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.93 143.71 52.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -42.77 -34.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.443 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 10.9 t -80.45 -43.48 20.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.503 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 7.8 ttm -52.82 -43.14 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -52.17 -46.99 65.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -43.28 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.235 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.0 mm100 -47.33 -54.55 10.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.752 ' O ' HD13 ' A' ' 93' ' ' ILE . 13.4 mt -46.51 -47.74 19.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.388 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.486 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.0 t -52.87 -18.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 33.1 t0 -74.55 -68.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.83 -46.63 88.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.437 1.086 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.689 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -51.98 -24.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.11 -30.57 58.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -87.7 -24.03 37.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -87.68 -63.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.65 -35.58 4.22 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 2.5 pttt -71.61 -31.31 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.32 -6.84 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.996 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.68 84.7 12.92 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.582 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.5 Cg_endo -74.94 175.92 10.58 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.93 46.38 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.42 143.09 58.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -56.18 -19.53 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.246 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.2 OUTLIER -81.56 31.27 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -41.67 -25.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.398 1.061 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.462 ' N ' ' C ' ' A' ' 106' ' ' ASP . 32.3 t -61.5 -51.31 69.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 3.1 ptm -98.51 -9.02 25.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.582 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.49 -69.15 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.415 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 7.1 m -49.14 -43.36 41.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.729 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.37 -47.38 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.422 1.076 . . . . 0.0 109.212 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -41.75 -53.19 3.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.381 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.491 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -74.84 -49.13 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.12 -22.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.582 ' HG3' ' CD1' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -103.46 -36.86 7.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 3.5 t -40.23 -45.94 2.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.414 1.072 . . . . 0.0 108.254 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.1 OUTLIER -66.99 -50.92 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -30.19 70.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.61 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -59.15 -28.58 66.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -60.37 -29.78 69.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.663 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.7 mm -75.94 -38.79 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.596 ' CE1' ' HG3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -48.3 -18.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.663 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.471 ' N ' ' C ' ' A' ' 122' ' ' ILE . 39.5 mttt -95.95 25.64 4.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.753 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -44.12 -94.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.644 ' H ' HD13 ' A' ' 125' ' ' LEU . 10.4 t30 -96.14 -22.03 17.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.606 ' CD1' ' N ' ' A' ' 127' ' ' TRP . 0.0 OUTLIER -90.48 138.7 31.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 30.8 m -121.28 117.06 30.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.596 ' HG3' ' CE1' ' A' ' 123' ' ' HIS . 18.1 Cg_endo -75.04 51.48 2.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 129' ' ' PRO . 2.7 t30 -39.06 -31.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.438 ' N ' ' C ' ' A' ' 129' ' ' PRO . 6.3 mtt -104.38 100.39 10.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.78 114.3 15.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.837 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -63.05 112.02 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.541 HG12 HD13 ' A' ' 135' ' ' ILE . 6.1 p -116.07 -11.8 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.541 HD13 HG12 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -106.39 -20.33 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.796 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 79.88 30.26 43.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -121.14 168.71 11.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 0.743 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 138' ' ' VAL . 34.1 m -65.85 106.62 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 tt -176.14 -45.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 133' ' ' LEU . . . -106.72 164.84 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.98 91.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 142' ' ' VAL . 11.0 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.571 ' OE2' ' CE1' ' A' ' 34' ' ' TYR . 19.9 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 5.3 mm -52.08 -37.64 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.55 -14.92 19.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.9 104.59 12.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -121.4 151.11 40.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.85 HD22 ' HB2' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -59.77 176.29 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 m -49.98 -91.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' PHE . 7.1 m-20 -118.09 -36.7 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.85 ' HB2' HD22 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -35.14 -34.33 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.718 ' CZ ' HD21 ' A' ' 55' ' ' LEU . 15.4 m-85 -115.17 -67.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.13 -34.11 2.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 2.0 tmmt? -80.2 -51.14 9.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -58.5 -43.19 88.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.535 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 15.4 mmt -68.73 -39.57 80.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -69.05 -48.61 62.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 14.8 mt-30 -66.04 -36.06 82.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.531 ' O ' HD12 ' A' ' 25' ' ' LEU . 10.7 m -62.48 -36.29 82.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 108.33 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -66.98 -6.9 18.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -68.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.364 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -48.48 -42.48 32.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.538 ' HB2' HD12 ' A' ' 25' ' ' LEU . 4.2 mt -98.35 -12.12 21.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.371 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 51.27 16.92 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.53 166.13 38.1 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.745 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -75.03 119.54 5.68 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.519 1.8 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.545 ' HA ' HG22 ' A' ' 30' ' ' VAL . 46.7 p-10 -68.08 -0.26 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 26' ' ' PRO . 22.6 p -82.03 -41.2 21.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 26' ' ' PRO . 11.4 m -65.35 -36.72 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.592 HG13 HD21 ' A' ' 25' ' ' LEU . 34.2 m -76.42 -31.83 21.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.488 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.44 -16.14 63.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.416 ' HB3' ' CB ' ' A' ' 37' ' ' TRP . 23.5 t0 -79.29 -26.59 42.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.573 ' HG ' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -50.54 -50.58 52.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.571 ' CE1' ' OE2' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -61.44 -21.51 64.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.468 ' OD1' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -84.85 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.211 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.4 p90 174.11 44.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.589 ' O ' ' CD2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.4 0.83 57.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -44.79 -55.19 5.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.478 ' CA ' ' HB2' ' A' ' 123' ' ' HIS . 7.9 t70 -56.13 -35.47 67.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.557 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 11.9 t0 -71.48 83.21 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.513 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 69.8 t80 -82.09 173.91 11.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.881 HG13 ' HB2' ' A' ' 46' ' ' ARG . 39.4 t -39.59 -30.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.448 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.7 OUTLIER -41.38 -26.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.438 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -114.8 -54.77 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.543 ' OD2' HG21 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -131.82 102.89 6.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.881 ' HB2' HG13 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -65.53 -42.81 91.56 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.571 1.169 . . . . 0.0 110.256 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.675 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -48.21 -43.33 31.92 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.591 1.182 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.513 ' HB1' ' CE2' ' A' ' 37' ' ' TRP . . . -56.54 -28.65 60.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.503 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.4 -27.54 43.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.105 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.55 -46.54 9.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.577 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -54.47 -47.96 72.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.562 HD13 HD12 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -54.19 -48.58 66.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.4 ' N ' HG23 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -58.44 -42.36 87.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.393 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -58.38 -24.85 61.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.718 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -52.48 -34.22 48.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.621 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.4 -12.82 60.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -17.68 -60.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.724 ' O ' HG22 ' A' ' 61' ' ' VAL . 9.0 mmtm -113.27 103.35 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.614 HD23 ' CD2' ' A' ' 69' ' ' HIS . 1.2 mp -71.43 -19.83 62.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.28 -34.89 79.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 58' ' ' LYS . 31.2 m -84.37 -38.43 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.75 -44.85 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.46 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -129.72 107.68 17.03 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.447 1.761 . . . . 0.0 111.046 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -110.56 4.27 20.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.96 47.25 1.93 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.04 -37.65 54.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.021 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.07 -174.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.614 ' CD2' HD23 ' A' ' 59' ' ' LEU . 27.8 m80 -146.39 116.16 7.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.593 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 1.7 p-80 -39.72 141.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.63 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.48 -44.95 2.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -130.32 85.19 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -64.58 130.21 42.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 171.6 1.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.514 1.134 . . . . 0.0 109.204 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.536 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 2.3 m-20 -70.8 0.59 6.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -87.1 -46.31 9.9 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -65.07 -58.67 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.536 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -76.92 42.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.486 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 6.7 tptt -152.99 -55.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.411 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -69.3 -5.72 24.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.627 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -161.16 46.7 0.38 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.765 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.26 138.32 49.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -88.05 146.96 25.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -43.51 -32.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.7 t -77.87 -44.58 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.765 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -55.91 -23.96 34.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -58.09 -57.04 14.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.66 -43.31 10.82 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 69.0 mm-40 -41.3 -61.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.787 HD21 ' CD1' ' A' ' 118' ' ' PHE . 11.1 mp -48.75 -45.34 39.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.594 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -58.1 -20.49 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 31.9 t0 -70.58 -70.03 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.715 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.0 -46.54 93.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.247 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.546 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mm -53.5 -26.46 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.594 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.7 m170 -76.49 -31.47 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.406 ' CA ' ' HG2' ' A' ' 99' ' ' LYS . . . -90.03 -24.65 29.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.606 1.191 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 100' ' ' SER . 12.5 m -89.54 -64.67 1.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -45.49 -32.44 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 110.272 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 95' ' ' HIS . 10.5 ptpt -75.36 -31.06 60.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.2 -6.06 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -114.47 84.3 9.58 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.573 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -74.99 175.92 10.6 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.09 48.29 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.472 ' CB ' ' OD1' ' A' ' 106' ' ' ASP . 78.6 m-20 -62.65 150.83 39.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 107' ' ' LYS . 76.1 m-20 -57.04 -28.98 63.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.388 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 109' ' ' MET . 33.4 p-10 -81.64 32.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.167 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.496 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 8.3 pttt -41.5 -26.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 106' ' ' ASP . 41.9 t -63.2 -52.2 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.49 ' C ' HG22 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -90.51 -10.0 45.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.573 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -89.03 -66.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.598 1.186 . . . . 0.0 109.231 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.722 ' O ' ' N ' ' A' ' 115' ' ' ALA . 9.6 m -43.19 -46.6 6.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -47.6 -46.88 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.373 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 1.3 t70 -42.08 -58.56 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.539 ' HA ' ' HB2' ' A' ' 117' ' ' CYS . 0.9 OUTLIER -84.44 -49.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.722 ' N ' ' O ' ' A' ' 111' ' ' THR . . . -47.89 -24.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 112' ' ' ILE . 1.1 ttm -103.08 -27.6 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.539 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 11.0 t -40.2 -53.62 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 108.359 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.787 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -67.12 -44.09 80.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -58.12 -29.52 65.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.357 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.1 OUTLIER -65.42 -26.83 68.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -53.44 -34.33 57.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.762 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.2 mm -70.5 -37.27 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.478 ' HB2' ' CA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -50.03 -15.5 0.21 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.639 1.212 . . . . 0.0 109.605 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.49 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 20.5 mttt -96.35 25.31 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.781 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.16 -93.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.57 ' H ' HD13 ' A' ' 125' ' ' LEU . 11.6 t-20 -109.31 -4.06 16.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.557 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.9 OUTLIER -90.6 155.57 18.76 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 128' ' ' VAL . 7.3 m -100.1 117.41 63.29 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.49 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.4 Cg_endo -75.03 51.27 2.75 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.553 1.817 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.9 t30 -39.24 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.442 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -108.48 100.97 10.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.944 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.461 ' C ' ' HB1' ' A' ' 140' ' ' ALA . 13.3 t0 -130.32 125.45 34.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.849 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -55.1 130.02 40.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.407 ' HB ' HD13 ' A' ' 135' ' ' ILE . 50.4 t -114.14 -58.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.467 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.41 -11.05 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.19 27.41 36.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.064 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.89 175.6 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.741 . . . . 0.0 110.355 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.415 ' H ' HG12 ' A' ' 138' ' ' VAL . 1.4 p -64.07 100.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 8.6 tt -174.53 -63.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.255 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 133' ' ' LEU . . . -95.5 164.31 12.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.226 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.85 87.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 140' ' ' ALA . 1.9 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 109.365 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 4' ' ' ILE . 3.4 mm -60.15 -38.15 75.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.645 1.215 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.91 -0.05 49.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.503 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 2.6 tttt -117.82 106.45 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -118.6 140.04 50.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.635 HD22 ' HB2' ' A' ' 11' ' ' ASN . 1.1 tt -59.44 177.79 0.18 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.497 ' N ' HD23 ' A' ' 8' ' ' LEU . 58.2 m -48.63 -95.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -116.98 -35.74 4.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.635 ' HB2' HD22 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -35.08 -36.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.178 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 10' ' ' ASN . 21.7 m-85 -114.34 -66.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.73 -33.64 1.1 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 14.8 ttpt -79.84 -53.35 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.8 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.849 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -60.19 -42.81 95.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.617 ' HG3' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -62.06 -42.67 99.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.088 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.97 -46.8 70.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 13.1 mt-30 -67.15 -40.18 86.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.497 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.5 m -60.87 -38.44 85.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 108.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.4 OUTLIER -66.85 -5.22 11.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.072 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.16 -69.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.488 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -45.49 -45.53 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 50' ' ' CYS . 0.2 OUTLIER -98.37 -11.44 22.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 51.32 18.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.676 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.0 166.74 35.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.715 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.2 Cg_endo -74.98 119.86 5.83 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' HA ' HG22 ' A' ' 30' ' ' VAL . 45.1 p-10 -67.93 0.3 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 26' ' ' PRO . 14.6 p -81.51 -42.05 20.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 26' ' ' PRO . 11.5 m -65.23 -36.99 79.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.646 HG11 ' CB ' ' A' ' 51' ' ' ALA . 16.8 m -74.95 -31.91 26.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -67.91 -16.73 64.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.071 . . . . 0.0 109.24 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -66.5 -37.48 85.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 4.2 tp -47.78 -50.73 24.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.503 ' CE2' ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -52.07 -22.8 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.948 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.529 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 1.1 t30 -85.74 -70.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.529 ' CG ' ' C ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER 162.57 44.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 111.082 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.668 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.52 15.77 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 108.09 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.691 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 7.9 ptmt -45.27 -59.74 2.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.502 ' HA ' ' ND1' ' A' ' 123' ' ' HIS . 8.2 p-10 -47.16 -35.29 7.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.611 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 8.6 t70 -72.6 82.58 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.583 1.177 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.55 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 47.7 t80 -80.49 172.39 13.82 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.459 1.099 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.829 HG22 ' HA ' ' A' ' 46' ' ' ARG . 3.2 t -38.68 -30.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -43.08 -23.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.61 -54.54 2.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.403 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.408 ' OD2' HG21 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -131.32 104.5 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.829 ' HA ' HG22 ' A' ' 42' ' ' VAL . 1.2 ttm180 -67.18 -43.27 82.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.649 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.22 -42.82 20.91 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.43 ' HA ' HG12 ' A' ' 30' ' ' VAL . . . -57.56 -33.23 67.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -78.89 -31.69 42.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.529 ' HB3' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -79.97 -45.22 18.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.646 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -56.61 -50.03 73.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -59.44 -41.34 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -41.5 98.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.966 ' O ' HG23 ' A' ' 57' ' ' THR . 0.1 OUTLIER -68.82 -27.98 66.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 108.373 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.858 ' O ' HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -41.29 -28.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.646 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -63.16 -11.16 18.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.966 HG23 ' O ' ' A' ' 54' ' ' CYS . 23.3 p -12.46 -64.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.605 1.191 . . . . 0.0 110.46 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 1.101 ' O ' HG22 ' A' ' 61' ' ' VAL . 2.6 tptt -117.78 94.96 4.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.7 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -54.69 -15.53 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.604 1.19 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 58' ' ' LYS . 17.4 t0 -71.06 -24.83 62.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.101 HG22 ' O ' ' A' ' 58' ' ' LYS . 17.7 m -80.03 -37.39 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.7 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -84.7 -45.88 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.5 p30 -123.05 103.61 36.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -42.71 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.18 2.71 16.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.53 39.71 2.52 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.419 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 0.9 OUTLIER -52.38 -42.32 63.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 0.713 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.986 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -165.63 -176.47 3.93 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.155 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.521 ' N ' HD13 ' A' ' 68' ' ' LEU . 7.2 m-70 -145.97 115.91 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -41.97 141.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.642 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.11 -45.4 3.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -129.43 81.29 2.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.53 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.42 130.54 43.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.223 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -61.42 171.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.524 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 5.9 m-20 -70.25 0.48 6.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 74' ' ' LYS . 44.9 m-85 -90.28 -45.42 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.602 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -61.74 -58.85 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.524 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -79.16 40.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.069 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.474 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 1.4 tttm -154.43 -56.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.455 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -66.5 -6.67 15.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.573 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -157.85 36.8 0.54 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.561 1.163 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.32 131.07 45.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.385 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.89 141.53 49.52 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.391 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.3 -32.99 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 t -77.45 -44.69 28.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.407 1.067 . . . . 0.0 110.418 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.727 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.78 -27.31 59.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.445 1.09 . . . . 0.0 111.034 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -61.24 -47.28 86.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.54 ' OE1' ' C ' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -87.69 -51.71 5.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.1 mm100 -38.93 -56.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.801 HD21 ' CD1' ' A' ' 118' ' ' PHE . 8.5 mp -46.85 -46.03 20.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.588 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 9.0 t -52.36 -17.71 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 37.8 t0 -75.57 -69.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.674 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.48 -46.79 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.661 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -52.09 -24.11 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.588 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.19 -30.85 58.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.635 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.29 -24.07 35.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.21 -63.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -45.21 -33.31 2.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.423 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 11.8 ptpt -74.01 -31.66 63.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.07 -7.55 39.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.561 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -115.76 84.99 13.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.566 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.96 176.05 10.41 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.59 1.837 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -74.93 45.74 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.661 1.874 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.457 ' N ' ' HD2' ' A' ' 110' ' ' LYS . 2.0 t-20 -62.46 140.5 58.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.643 1.214 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' A' ' 107' ' ' LYS . 3.7 m-20 -57.39 -17.61 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.5 OUTLIER -79.28 34.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 109.254 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 105' ' ' ASP . 2.6 mttp -40.66 -26.03 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 106' ' ' ASP . 12.9 t -60.47 -51.27 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -104.61 -4.47 22.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.566 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.57 -69.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.097 . . . . 0.0 109.244 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.3 m -52.16 -42.65 63.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.673 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -46.64 -47.51 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.82 -53.39 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -79.11 -49.12 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.366 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.66 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -46.88 -23.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.474 ' CG ' HD11 ' A' ' 112' ' ' ILE . 1.7 mmt -105.02 -36.32 7.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.2 t -42.06 -53.73 3.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 108.384 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.801 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.58 -42.45 91.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 110.926 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.574 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.7 OUTLIER -60.34 -29.13 68.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.536 ' HA ' ' CE1' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -58.81 -30.22 67.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -60.9 -29.29 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.227 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.712 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.2 mm -76.78 -40.78 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.423 1.077 . . . . 0.0 109.379 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.691 ' CD2' ' HB2' ' A' ' 38' ' ' LYS . 2.6 m170 -49.55 -17.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.605 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.485 ' CD ' ' HG3' ' A' ' 129' ' ' PRO . 0.9 OUTLIER -96.53 26.27 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.906 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -44.33 -94.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.619 ' H ' HD13 ' A' ' 125' ' ' LEU . 9.7 t-20 -109.33 -3.52 17.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 109.32 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.906 ' CD2' HD11 ' A' ' 125' ' ' LEU . 1.2 m0 -89.04 152.19 21.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.1 p -95.89 116.95 66.57 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.339 1.024 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.485 ' HG3' ' CD ' ' A' ' 124' ' ' LYS . 18.3 Cg_endo -74.94 50.46 2.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.5 p30 -40.01 -28.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.47 ' N ' ' C ' ' A' ' 129' ' ' PRO . 12.6 mmt -94.43 103.35 15.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 134' ' ' VAL . 9.0 t0 -127.5 126.95 43.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.513 HD13 ' H ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -60.97 81.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 132' ' ' ASP . 8.6 p -116.21 3.8 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.067 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.505 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.85 -20.55 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.513 ' H ' HD13 ' A' ' 133' ' ' LEU . . . 77.04 24.16 67.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.437 1.086 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.436 ' O ' HD21 ' A' ' 133' ' ' LEU . 0.2 OUTLIER -127.67 149.29 50.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 110.252 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 138' ' ' VAL . 14.6 m -65.01 108.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -174.91 -61.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.76 165.15 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.462 ' HG3' ' CE ' ' A' ' 43' ' ' MET . 3.0 mt-10 -69.6 88.32 0.5 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.58 1.175 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.42 HG22 ' HG ' ' A' ' 133' ' ' LEU . 65.0 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' LYS . 2.2 tp10 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.803 HD12 ' HB1' ' A' ' 31' ' ' ALA . 4.5 mm -55.96 -36.67 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -29.19 68.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 111.01 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -109.45 106.44 16.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -118.33 147.81 43.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.223 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 11' ' ' ASN . 0.4 OUTLIER -60.04 -173.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.478 ' H ' HD23 ' A' ' 8' ' ' LEU . 15.2 t -59.8 -91.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.941 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' PHE . 74.7 m-20 -119.59 -38.17 3.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.791 ' HB3' HD22 ' A' ' 8' ' ' LEU . 1.7 t30 -34.36 -35.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.76 ' CD1' HD11 ' A' ' 55' ' ' LEU . 5.1 m-85 -114.73 -68.62 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' ' CE ' ' A' ' 16' ' ' MET . . . -44.26 -37.17 4.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 4.8 ttpt -81.19 -45.47 16.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.229 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.722 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -60.63 -46.24 91.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.681 ' HE2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -67.53 -36.65 81.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.681 ' N ' ' HE2' ' A' ' 16' ' ' MET . 8.3 t70 -71.24 -48.77 49.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.4 mt-30 -67.39 -32.2 72.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.582 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.3 m -64.12 -39.64 94.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 108.363 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 24' ' ' SER . 4.3 ttpt -65.16 -5.67 7.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 0.0 109.313 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.05 -69.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 1.8 pt-20 -47.65 -45.78 28.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 51' ' ' ALA . 63.9 mt -99.02 -10.6 22.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.576 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.52 18.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.661 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -81.9 168.93 20.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.784 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.2 Cg_endo -74.99 120.98 6.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.792 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.472 ' HB2' ' CG ' ' A' ' 16' ' ' MET . 42.4 p-10 -67.86 0.54 3.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 26' ' ' PRO . 30.3 p -81.95 -39.79 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.784 HG22 ' O ' ' A' ' 26' ' ' PRO . 15.8 m -64.85 -37.86 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.474 ' CG1' ' HG3' ' A' ' 16' ' ' MET . 9.1 p -73.83 -31.76 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.803 ' HB1' HD12 ' A' ' 4' ' ' ILE . . . -67.31 -23.67 65.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -62.64 -29.52 70.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.61 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 17.0 tp -51.45 -49.27 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 31' ' ' ALA . 20.0 m-85 -65.98 -23.43 66.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 1.5 t30 -84.37 -70.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 168.07 69.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 111.025 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.611 ' CZ3' ' HB1' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -91.56 8.26 37.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 1.176 . . . . 0.0 108.039 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -43.7 -58.23 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.403 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.565 ' HB2' ' CE1' ' A' ' 123' ' ' HIS . 0.3 OUTLIER -67.4 -33.48 75.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.187 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -69.64 93.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.358 1.036 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.52 ' HH ' ' CG ' ' A' ' 113' ' ' ASP . 11.8 t80 -98.4 156.88 16.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.819 HG13 ' CB ' ' A' ' 46' ' ' ARG . 33.3 t -39.94 -29.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -39.9 -26.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.956 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -109.8 -52.19 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.401 ' OD1' HD23 ' A' ' 47' ' ' LEU . 11.5 t70 -134.35 105.62 6.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.819 ' CB ' HG13 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -71.73 -33.36 68.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.821 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -47.72 -44.93 28.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.611 ' HB1' ' CZ3' ' A' ' 37' ' ' TRP . . . -56.83 -31.63 64.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.518 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -83.38 -30.09 31.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.567 1.167 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.81 -45.05 21.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HA ' HD12 ' A' ' 23' ' ' LEU . . . -53.43 -46.9 69.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -58.33 -39.21 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.361 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.52 -46.51 80.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.59 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -63.19 -30.21 71.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 108.317 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.76 HD11 ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -53.95 -33.38 56.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.616 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.5 -13.28 61.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.208 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.616 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.97 -59.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.437 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.659 ' O ' HG22 ' A' ' 61' ' ' VAL . 53.9 mmtt -113.18 93.13 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.646 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -57.95 -15.98 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -23.28 62.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.5 m -81.5 -42.04 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.646 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.26 -45.54 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.485 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -124.12 109.93 29.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -41.38 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.02 -0.55 16.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.382 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 104.73 46.12 1.32 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -53.57 -36.28 61.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.488 0.758 . . . . 0.0 109.355 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.002 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -167.27 -173.98 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.595 1.184 . . . . 0.0 109.285 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.491 ' CD2' HD23 ' A' ' 59' ' ' LEU . 26.8 m80 -144.9 116.68 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -40.43 140.18 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.649 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.03 -45.8 3.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 3.5 t30 -122.7 73.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 0.8 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.647 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -62.09 130.8 47.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.407 ' O ' ' SD ' ' A' ' 78' ' ' MET . 6.5 mmtt -60.38 171.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.484 ' O ' ' CE ' ' A' ' 78' ' ' MET . 22.7 m-20 -71.0 0.88 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 74' ' ' LYS . 6.0 m-85 -101.16 -34.91 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.681 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -53.73 -76.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.73 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.16 42.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.8 OUTLIER -141.24 -50.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -5.27 22.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -144.64 23.09 2.0 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.431 1.082 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.505 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -132.37 160.26 36.84 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.597 0.822 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -85.55 143.38 28.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -39.86 -30.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.503 HG22 ' CG ' ' A' ' 83' ' ' ASP . 1.6 t -66.5 -40.6 89.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.46 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.564 ' N ' ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -46.82 -37.63 8.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -48.78 -48.93 40.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.35 -45.92 7.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' A' ' 92' ' ' ASP . 2.3 mt-30 -43.56 -60.67 1.66 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 93' ' ' ILE . 9.4 mp -45.28 -45.18 11.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.539 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 3.2 t -53.14 -16.02 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.369 1.043 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' GLN . 1.1 m-20 -77.9 -69.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.745 HG21 ' OE2' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -65.83 -47.16 86.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.661 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -52.23 -24.83 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.229 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.47 -31.78 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.5 -24.12 31.88 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.067 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -88.82 -63.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.6 tt0 -45.31 -33.34 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.25 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.4 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 21.4 pttt -74.77 -31.54 61.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.0 -6.0 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.565 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -114.65 83.92 9.5 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.597 1.186 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.55 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.1 Cg_endo -75.09 176.5 9.85 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.414 1.744 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.439 ' HA ' ' NZ ' ' A' ' 110' ' ' LYS . 18.5 Cg_endo -74.92 46.7 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.811 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.33 140.96 58.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.634 1.209 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 107' ' ' LYS . 52.5 m-20 -57.03 -17.78 11.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.2 m-20 -80.47 33.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.486 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -40.18 -26.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.498 ' N ' ' C ' ' A' ' 106' ' ' ASP . 12.9 t -60.31 -51.35 69.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 108.257 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -103.6 -4.65 23.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.2 OUTLIER -88.76 -72.35 0.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.6 m -52.01 -44.23 64.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.456 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.729 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -47.77 -43.53 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.52 ' CG ' ' HH ' ' A' ' 41' ' ' TYR . 2.1 t70 -43.61 -54.18 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.565 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -72.58 -49.81 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.37 -21.9 1.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.614 ' SD ' HD11 ' A' ' 112' ' ' ILE . 1.9 tpt -101.21 -36.51 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.2 t -43.86 -48.58 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.307 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.643 ' CD1' HD21 ' A' ' 90' ' ' LEU . 1.1 t80 -65.78 -38.86 90.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -29.63 70.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 123' ' ' HIS . 0.1 OUTLIER -62.22 -29.65 70.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.745 ' OE2' HG21 ' A' ' 93' ' ' ILE . 27.1 mm-40 -60.81 -27.53 68.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.692 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.9 mm -73.34 -38.04 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 39' ' ' ASP . 0.8 OUTLIER -46.41 -18.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.645 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.477 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.3 OUTLIER -93.83 25.11 3.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.586 1.178 . . . . 0.0 109.37 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.731 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -48.88 -96.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.39 1.057 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.682 ' H ' HD13 ' A' ' 125' ' ' LEU . 28.0 m-80 -98.63 -25.23 14.79 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.387 1.054 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.623 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -90.43 139.04 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.162 . . . . 0.0 107.983 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.18 117.58 68.57 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.522 ' HB3' ' CD2' ' A' ' 123' ' ' HIS . 18.5 Cg_endo -74.91 51.38 2.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' PRO . 42.8 t30 -39.04 -30.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.443 ' N ' ' C ' ' A' ' 129' ' ' PRO . 1.1 ttt -96.21 100.78 12.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.553 ' O ' ' HB1' ' A' ' 140' ' ' ALA . 4.4 m-20 -130.15 118.68 21.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.88 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -175.95 106.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.411 ' CG1' HD13 ' A' ' 135' ' ' ILE . 13.8 p -116.06 -14.68 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.485 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.8 -19.51 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.424 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 70.1 33.21 69.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.409 1.068 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -130.27 173.42 10.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 0.8 . . . . 0.0 110.319 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 138' ' ' VAL . 14.6 m -73.25 99.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.1 tp -178.9 -41.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.553 ' HB1' ' O ' ' A' ' 132' ' ' ASP . . . -90.81 166.19 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 132' ' ' ASP . 0.3 OUTLIER -73.6 84.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' GLU . 58.6 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.513 ' HB3' ' CG ' ' A' ' 34' ' ' TYR . 2.3 mm-40 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.903 HG23 ' HB1' ' A' ' 31' ' ' ALA . 4.6 mm -56.37 -38.53 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.378 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -0.09 53.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.55 105.48 10.87 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.082 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -119.98 143.44 48.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.841 HD22 ' HB2' ' A' ' 11' ' ' ASN . 1.7 tt -61.65 177.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.554 ' N ' HD23 ' A' ' 8' ' ' LEU . 45.3 m -48.72 -90.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -117.45 -36.88 3.61 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.841 ' HB2' HD22 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -35.41 -34.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.519 ' HA ' HD21 ' A' ' 55' ' ' LEU . 12.1 m-85 -113.39 -69.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.86 -32.89 1.02 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 3.6 tmmm? -80.14 -52.67 7.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.831 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -60.29 -44.42 95.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.536 ' CE ' HG21 ' A' ' 30' ' ' VAL . 23.1 mmt -63.64 -39.28 93.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -74.54 -37.58 62.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 15.1 mt-30 -72.68 -40.91 65.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.186 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.553 ' O ' HD12 ' A' ' 25' ' ' LEU . 87.8 m -62.52 -37.09 84.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.343 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -66.85 -6.75 17.55 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.609 1.193 . . . . 0.0 109.261 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.34 -69.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 1.9 pt-20 -47.57 -43.66 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.685 HD13 ' HB3' ' A' ' 50' ' ' CYS . 24.8 mt -98.7 -11.82 21.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.37 1.044 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.536 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER 51.77 17.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.53 165.87 39.62 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.647 1.217 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.848 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.5 Cg_endo -75.0 120.72 6.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.398 1.736 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.408 ' CG ' ' HD2' ' A' ' 20' ' ' LYS . 32.2 p-10 -68.48 0.54 3.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.434 ' H ' ' C ' ' A' ' 26' ' ' PRO . 22.1 p -82.4 -40.1 21.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 26' ' ' PRO . 20.0 m -62.68 -37.94 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.536 HG21 ' CE ' ' A' ' 16' ' ' MET . 8.4 p -74.45 -30.27 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.903 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -66.76 -29.84 69.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -59.92 -23.75 63.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.647 HD23 ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -59.06 -51.04 71.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.513 ' CG ' ' HB3' ' A' ' 3' ' ' GLU . 0.3 OUTLIER -51.7 -24.62 5.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.498 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 2.4 m-20 -85.71 -72.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.498 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 9.8 p90 176.64 59.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.659 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.42 19.17 6.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -55.56 -55.71 28.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' CA ' ' HB2' ' A' ' 123' ' ' HIS . 23.4 t0 -64.93 -29.13 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -69.35 82.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.857 ' CE1' HG22 ' A' ' 42' ' ' VAL . 12.0 t80 -78.71 155.01 29.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.857 HG22 ' CE1' ' A' ' 41' ' ' TYR . 27.0 m -40.05 -30.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.451 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.9 OUTLIER -41.79 -25.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.905 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -111.24 -52.34 2.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.079 . . . . 0.0 110.34 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.6 91.15 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.947 ' HG3' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.84 -33.52 75.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.947 HD13 ' HG3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -50.31 -43.23 53.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.575 1.172 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.62 ' HB1' ' CD1' ' A' ' 37' ' ' TRP . . . -56.86 -32.71 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' HG13 ' A' ' 112' ' ' ILE . . . -83.37 -28.99 34.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 111.066 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.685 ' HB3' HD13 ' A' ' 23' ' ' LEU . 1.2 m -79.53 -45.62 18.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.543 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . . . -53.98 -48.2 70.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.566 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -65.25 -34.51 71.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.91 -49.01 76.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' THR . 0.4 OUTLIER -67.13 -18.84 65.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.331 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.831 HD22 ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -52.47 -36.34 54.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.647 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.98 -12.38 60.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -14.26 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.666 ' O ' HG22 ' A' ' 61' ' ' VAL . 6.4 tptt -113.2 95.98 5.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 70' ' ' HIS . 0.8 OUTLIER -61.65 -16.63 50.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.373 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -68.68 -22.11 64.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.4 m -83.0 -40.66 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.708 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -80.9 -44.44 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 4.1 p30 -121.55 103.71 40.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -43.05 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.404 1.739 . . . . 0.0 110.98 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -112.44 1.86 16.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.76 38.89 2.28 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.438 1.086 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.41 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 56.6 t30 -57.05 -33.95 67.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.934 HD22 ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -162.87 -178.02 5.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.934 ' N ' HD22 ' A' ' 68' ' ' LEU . 8.8 m-70 -151.97 120.53 6.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.584 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.779 ' HB2' HD11 ' A' ' 59' ' ' LEU . 44.3 t60 -47.29 139.05 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.73 -44.73 2.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -125.85 82.68 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.35 130.62 44.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.394 1.059 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 170.67 1.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.535 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 5.8 m-20 -70.73 -2.91 16.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -89.16 -46.74 8.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 111.075 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.556 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -62.79 -58.2 8.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.535 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -78.3 41.22 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 111.011 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.498 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -154.06 -52.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.556 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -68.61 -5.95 22.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.68 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -156.89 29.27 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.68 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.6 137.8 48.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.156 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.94 142.27 43.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 109.234 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -46.08 -33.28 3.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.4 1.062 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.2 t -77.23 -43.38 33.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.68 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -55.69 -25.13 38.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -62.79 -51.37 67.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.383 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.448 ' OE1' ' NE2' ' A' ' 89' ' ' GLN . 1.2 tt0 -81.67 -47.78 12.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.615 1.197 . . . . 0.0 110.262 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 50.5 mm-40 -42.99 -61.23 1.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.919 HD21 ' CD1' ' A' ' 118' ' ' PHE . 10.3 mp -48.41 -45.56 36.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.1 t -52.92 -19.52 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 7.8 m-20 -73.33 -68.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.9 -47.2 83.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 109.211 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.665 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -51.95 -25.08 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.368 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 0.5 OUTLIER -76.06 -31.38 58.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.588 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.434 ' C ' HG21 ' A' ' 142' ' ' VAL . . . -88.31 -23.79 36.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -87.95 -63.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.66 -33.74 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.355 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.421 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 0.0 OUTLIER -73.81 -31.06 63.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.59 -8.48 34.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.032 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.3 80.42 12.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.88 173.87 13.72 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.502 1.791 . . . . 0.0 111.065 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 43.23 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.559 1.82 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' A' ' 102' ' ' PRO . 10.4 t-20 -61.13 150.11 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 107' ' ' LYS . 6.3 m-20 -55.12 -21.88 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' MET . 4.9 m-20 -83.84 29.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 105' ' ' ASP . 17.6 mtmt -40.8 -29.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 106' ' ' ASP . 4.7 t -55.17 -49.43 71.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 108.284 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -102.24 -4.51 25.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -90.2 -79.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.0 m -47.0 -44.36 20.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.749 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.2 -45.0 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.228 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 1.3 t70 -44.99 -45.83 10.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -74.7 -54.29 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.87 -20.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.658 ' CE ' ' CZ2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -103.52 -35.72 8.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 2.4 t -43.57 -53.92 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.354 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.919 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -65.97 -36.64 83.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -30.71 70.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.593 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.1 OUTLIER -63.99 -33.77 76.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 7.5 mm-40 -58.94 -30.07 67.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.625 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.8 mm -81.64 -36.42 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -47.23 -20.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.551 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -96.51 27.13 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.229 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.794 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.8 -95.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.626 ' H ' HD13 ' A' ' 125' ' ' LEU . 9.4 t-20 -99.02 -2.17 37.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.767 ' CD2' HD11 ' A' ' 125' ' ' LEU . 2.1 m0 -88.99 156.46 18.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 6.8 m -85.21 118.95 71.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.38 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.427 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.5 Cg_endo -75.0 50.34 2.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -43.46 -27.02 0.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.427 ' N ' ' C ' ' A' ' 129' ' ' PRO . 2.1 ttm -94.2 100.67 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.33 125.01 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.226 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -45.58 113.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 135' ' ' ILE . 4.9 p -115.82 -13.36 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.563 HD13 HG12 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -106.35 -21.06 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.773 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 69.11 31.52 72.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 111.05 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.6 174.75 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 0.815 . . . . 0.0 110.298 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 138' ' ' VAL . 16.4 m -69.66 100.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 173.33 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.168 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.448 ' CB ' ' HA ' ' A' ' 133' ' ' LEU . . . -111.03 166.16 11.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.63 90.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 97' ' ' CYS . 12.5 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.546 ' N ' HD13 ' A' ' 4' ' ' ILE . 3.4 mm -56.42 -38.41 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.387 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.5 ttp -98.44 -5.99 31.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.48 105.41 11.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.368 1.043 . . . . 0.0 109.239 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -119.69 138.7 53.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.794 HD12 ' N ' ' A' ' 9' ' ' SER . 3.2 pp -71.81 -167.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.794 ' N ' HD12 ' A' ' 8' ' ' LEU . 6.4 t -48.94 -100.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.04 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.593 ' O ' ' N ' ' A' ' 12' ' ' PHE . 4.0 m-20 -125.55 -34.98 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.612 ' ND2' HD13 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -28.72 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.678 ' CD2' ' CE ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -108.43 -64.17 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.94 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.84 -38.37 4.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.419 1.075 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -51.41 20.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -55.57 -42.08 74.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.678 ' CE ' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.16 -49.1 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.058 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -66.52 -41.13 89.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 14.6 mt-30 -69.22 -40.95 77.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.483 ' O ' HD12 ' A' ' 25' ' ' LEU . 2.2 m -60.64 -37.99 83.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.338 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -67.92 -5.17 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.623 1.202 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.99 -69.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -45.25 -44.71 11.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.496 ' HB2' HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -98.69 -11.68 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 51.54 18.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 110.055 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.695 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -84.04 167.94 24.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.983 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -75.05 120.36 6.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.398 1.736 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' HB2' ' CD ' ' A' ' 20' ' ' LYS . 5.4 t0 -67.22 -2.59 6.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 26' ' ' PRO . 15.3 p -81.54 -39.9 23.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.983 HG22 ' O ' ' A' ' 26' ' ' PRO . 32.2 m -62.94 -36.02 73.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 p -78.87 -31.45 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.587 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . -69.83 -17.27 63.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.568 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 54.9 t0 -77.06 -32.85 57.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.444 HD23 ' NE1' ' A' ' 37' ' ' TRP . 9.8 mt -50.77 -39.54 52.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.587 ' CE2' ' HA ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -74.5 -20.83 59.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -67.39 -73.45 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.367 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 161.08 28.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.599 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -95.33 26.5 3.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.008 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.606 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 27.7 mttm -43.46 -53.05 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.579 ' CG ' ' CE1' ' A' ' 123' ' ' HIS . 53.5 t0 -47.08 -35.72 7.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.599 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 20.8 t0 -89.07 76.91 7.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.606 ' CD2' ' O ' ' A' ' 38' ' ' LYS . 6.5 m-85 -97.33 -169.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' TYR . 30.9 m -32.53 -36.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -39.5 -27.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -119.68 -49.6 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.457 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.04 98.46 5.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -61.93 -40.42 95.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.249 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.644 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.26 -43.76 22.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.229 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.68 -31.84 62.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.492 ' HA3' ' CG1' ' A' ' 42' ' ' VAL . . . -82.19 -29.49 37.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.522 1.139 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.2 -45.32 20.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.461 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -56.63 -47.65 79.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.634 1.209 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -61.45 -39.17 81.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.451 ' CG ' ' CE1' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -59.63 -46.07 90.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -67.24 -20.44 65.67 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.552 1.158 . . . . 0.0 108.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.654 HD11 ' CD1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -53.56 -34.84 59.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.883 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -72.74 -12.0 60.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.12 -60.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.654 ' O ' HG22 ' A' ' 61' ' ' VAL . 4.3 mmtt -111.43 104.94 13.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.178 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 56' ' ' ALA . 3.2 mt -71.5 -23.07 61.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.26 -34.41 76.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 58' ' ' LYS . 30.7 m -88.67 -39.43 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.44 -44.06 94.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.441 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -128.53 104.42 19.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -42.23 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.542 1.812 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.07 4.08 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.441 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 97.95 45.72 2.38 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -51.02 -41.24 59.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.354 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.011 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -171.01 -174.21 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.534 ' N ' HD13 ' A' ' 68' ' ' LEU . 68.1 m80 -146.44 120.97 9.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.591 1.182 . . . . 0.0 109.615 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.477 ' HB2' ' CB ' ' A' ' 56' ' ' ALA . 10.0 t-160 -44.86 139.79 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.6 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 -45.75 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.088 . . . . 0.0 111.074 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 2.1 t30 -125.03 77.18 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.605 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -62.49 131.57 49.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -60.73 171.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.518 ' C ' ' HE1' ' A' ' 78' ' ' MET . 39.4 m-20 -71.72 1.55 6.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.405 ' H ' ' C ' ' A' ' 74' ' ' LYS . 4.6 m-85 -102.61 -29.42 11.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.651 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -56.02 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.595 1.184 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.773 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.41 42.48 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 111.086 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -140.91 -50.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.088 . . . . 0.0 109.357 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -69.25 -5.39 22.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 0.0 109.567 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.59 22.92 1.5 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.435 1.084 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -133.44 157.92 44.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -90.47 148.89 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -42.83 -29.66 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -67.6 -37.86 83.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.45 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.593 ' HE3' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -49.29 -38.4 27.16 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 0.0 110.964 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.46 ' N ' ' SD ' ' A' ' 86' ' ' MET . . . -47.5 -47.24 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.676 ' NE2' ' C ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -93.74 -51.98 4.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.401 1.063 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.564 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.3 mt-30 -39.14 -56.39 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.675 HD11 ' CD1' ' A' ' 118' ' ' PHE . 6.6 mp -47.54 -48.39 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.232 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.567 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 3.2 t -53.32 -14.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 31.9 t0 -79.41 -69.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.731 HG21 ' OE2' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -67.21 -47.53 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.653 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -51.7 -24.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.32 -32.41 58.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.667 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.477 ' HA2' ' CE ' ' A' ' 99' ' ' LYS . . . -90.13 -24.12 30.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.6 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -88.53 -63.15 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 4.9 tt0 -45.12 -34.81 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.383 1.052 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.477 ' CE ' ' HA2' ' A' ' 96' ' ' GLY . 0.6 OUTLIER -73.81 -30.14 62.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.45 -7.92 33.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -116.9 80.87 11.52 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.453 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.5 Cg_endo -74.97 174.07 13.41 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.433 1.754 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 41.0 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.556 1.819 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.453 ' H ' ' C ' ' A' ' 102' ' ' PRO . 6.2 t-20 -62.3 146.64 50.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.389 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 107' ' ' LYS . 83.3 m-20 -55.47 -21.72 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.5 OUTLIER -83.88 29.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 105' ' ' ASP . 2.3 ptmt -40.34 -29.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.452 ' N ' ' C ' ' A' ' 106' ' ' ASP . 5.8 t -51.46 -47.81 63.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.9 ptt? -102.22 -6.98 22.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.075 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -90.03 -79.62 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.0 m -45.36 -44.68 11.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.767 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.41 -44.44 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 6.4 t0 -45.74 -47.74 15.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.595 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -75.08 -56.63 8.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.362 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -47.67 -21.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.538 ' HG3' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -102.14 -35.81 8.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.413 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 1.9 t -45.39 -54.92 6.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.393 1.058 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.675 ' CD1' HD11 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -64.34 -36.04 82.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 110.942 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -62.09 -30.31 70.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.055 . . . . 0.0 109.36 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -63.07 -27.58 69.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.731 ' OE2' HG21 ' A' ' 93' ' ' ILE . 48.4 mm-40 -58.18 -27.8 64.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.676 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.4 mm -80.44 -41.83 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.613 1.196 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.579 ' CE1' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -47.1 -22.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.577 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -97.19 28.92 3.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.848 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.16 -93.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.617 ' H ' HD13 ' A' ' 125' ' ' LEU . 11.3 t-20 -112.37 -3.83 14.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.848 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -90.79 153.39 20.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 108.014 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.7 p -91.86 117.87 67.97 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.515 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.0 Cg_endo -75.1 50.31 2.52 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.64 -32.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 129' ' ' PRO . 1.5 ttt -97.34 101.62 13.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.408 1.067 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.481 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.8 OUTLIER -126.9 95.36 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.811 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -174.98 133.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.432 ' HB ' HD13 ' A' ' 135' ' ' ILE . 51.3 t -115.36 -58.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.5 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.13 -5.52 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.48 30.93 23.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -125.69 175.24 7.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 110.349 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.519 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -68.22 112.2 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.447 HD11 ' O ' ' A' ' 96' ' ' GLY . 0.4 OUTLIER -176.71 -50.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 132' ' ' ASP . . . -78.95 165.08 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.83 84.39 0.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.484 ' HG2' ' CD1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.524 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 4.8 mm -56.48 -37.36 51.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.67 -7.83 39.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -110.11 106.02 15.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -118.94 139.67 51.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -70.18 -169.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 8' ' ' LEU . 28.9 t -49.32 -101.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.052 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.619 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -123.77 -31.15 3.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.588 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -29.54 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.787 ' HA ' HD21 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -108.22 -67.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.961 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.15 -34.23 2.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 34.8 ttpt -77.26 -55.72 5.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 0.773 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.917 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -59.49 -43.65 93.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 109.375 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.634 ' CE ' HD23 ' A' ' 55' ' ' LEU . 30.3 mmt -62.21 -38.76 90.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.051 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.45 -40.9 85.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.092 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.9 mt-30 -72.56 -39.92 67.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.515 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 96.8 m -63.32 -34.77 78.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 108.356 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -68.25 -7.27 29.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.94 -68.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.515 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -46.04 -42.58 13.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.547 ' HB2' HD12 ' A' ' 25' ' ' LEU . 3.0 mt -98.33 -12.85 21.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.498 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 2.8 m 53.29 16.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.616 1.198 . . . . 0.0 109.989 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.756 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -84.08 165.91 36.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.368 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.972 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.6 Cg_endo -74.92 121.49 6.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.603 1.844 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 31.8 p-10 -69.2 -1.18 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.396 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -83.28 -39.7 20.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.972 HG22 ' O ' ' A' ' 26' ' ' PRO . 26.9 m -61.16 -36.31 71.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.589 HG11 ' SD ' ' A' ' 16' ' ' MET . 11.0 p -77.13 -32.88 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.524 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -75.67 -28.27 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -70.43 -18.45 63.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.95 HD21 ' HB1' ' A' ' 48' ' ' ALA . 20.6 mt -57.36 -49.79 75.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.484 ' CD1' ' HG2' ' A' ' 3' ' ' GLU . 1.7 m-85 -51.34 -26.45 7.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 110.976 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.566 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 17.0 t30 -69.22 -58.06 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 14.0 m-85 -170.88 80.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.798 ' CD2' HD22 ' A' ' 33' ' ' LEU . 4.4 t90 -89.11 15.78 8.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.482 ' HB3' ' CA ' ' A' ' 123' ' ' HIS . 1.8 mptt -76.32 -64.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.4 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.635 ' HA ' ' CD2' ' A' ' 123' ' ' HIS . 59.6 t0 -73.38 -36.03 66.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.241 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -69.31 101.74 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.522 ' CD2' ' HB2' ' A' ' 43' ' ' MET . 6.3 t80 -102.92 148.44 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 46' ' ' ARG . 1.7 t -40.54 -28.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.522 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -48.6 -19.97 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.91 -48.64 2.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -127.64 95.17 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.535 ' HA ' HG22 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -77.1 -41.84 40.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.676 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -46.5 -44.4 17.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.95 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -57.13 -33.77 67.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.482 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -77.33 -22.71 69.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -87.46 -40.74 14.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.564 ' O ' ' SG ' ' A' ' 54' ' ' CYS . . . -56.86 -48.14 78.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.217 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.491 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -66.24 -36.04 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -49.3 76.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.97 ' O ' HG23 ' A' ' 57' ' ' THR . 3.2 p -70.5 -31.75 68.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.172 . . . . 0.0 108.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.917 HD22 ' HB3' ' A' ' 15' ' ' ALA . 1.5 tm? -40.97 -28.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.72 ' HB1' ' CD1' ' A' ' 59' ' ' LEU . . . -62.67 -11.76 19.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.97 HG23 ' O ' ' A' ' 54' ' ' CYS . 25.4 p -14.08 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.623 ' O ' HG22 ' A' ' 61' ' ' VAL . 10.9 mmtm -114.61 94.69 4.89 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.572 1.17 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.72 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 1.1 mp -59.38 -15.77 18.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -68.62 -24.22 64.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.6 m -79.78 -41.15 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.641 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.73 -45.68 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 59' ' ' LEU . 5.4 p-10 -123.48 105.41 33.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -42.76 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.55 1.816 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.01 3.56 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.41 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 101.82 39.91 2.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.448 ' ND2' ' NE2' ' A' ' 80' ' ' HIS . 22.6 t-20 -52.25 -37.11 54.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 0.782 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.009 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.83 -174.83 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.699 ' CD2' HD23 ' A' ' 59' ' ' LEU . 33.6 m80 -146.93 112.91 5.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.405 1.066 . . . . 0.0 109.654 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' HIS . 2.4 t60 -39.05 140.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.522 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.02 -45.1 3.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -130.03 80.24 1.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.741 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -59.52 131.39 50.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 170.33 1.54 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.471 ' O ' ' CE ' ' A' ' 78' ' ' MET . 10.8 m-20 -72.29 0.5 9.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -101.05 -30.12 11.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.785 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -58.91 -76.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.731 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -73.99 43.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.518 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.1 OUTLIER -142.31 -54.61 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.448 ' NE2' ' ND2' ' A' ' 67' ' ' ASN . 0.2 OUTLIER -71.14 -5.21 29.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.628 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.82 44.06 0.57 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.821 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.84 134.19 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' A' ' 86' ' ' MET . 4.2 m-20 -74.86 144.6 43.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.411 1.07 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -44.85 -33.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.2 t -77.31 -43.81 31.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.822 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -55.34 -23.06 21.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.438 ' HA ' ' CE ' ' A' ' 86' ' ' MET . . . -60.44 -52.7 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.6 -44.93 8.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.193 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 62.3 mm-40 -41.71 -62.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.853 HD21 ' CE1' ' A' ' 118' ' ' PHE . 10.8 mp -49.15 -44.84 43.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -54.85 -17.67 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 0.0 109.322 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 32.4 t0 -75.09 -68.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.72 HG21 ' CD ' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -67.19 -47.25 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.604 1.19 . . . . 0.0 109.359 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.666 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.61 -24.86 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 0.2 OUTLIER -75.89 -30.58 58.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.16 -24.31 34.88 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.598 1.186 . . . . 0.0 111.005 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.7 OUTLIER -90.28 -61.01 1.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 8.9 tm-20 -45.81 -33.52 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -73.42 -31.0 63.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.8 -8.75 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.056 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.619 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -117.77 79.01 12.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.423 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.0 172.1 17.04 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 43.95 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 102' ' ' PRO . 5.6 t-20 -60.61 150.34 32.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 107' ' ' LYS . 1.5 m-20 -52.5 -29.32 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.9 OUTLIER -83.57 29.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.238 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 105' ' ' ASP . 4.8 pttt -40.71 -29.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.432 ' N ' ' C ' ' A' ' 106' ' ' ASP . 13.0 t -51.45 -46.61 63.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 108.274 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 18.4 ttt -101.45 -7.76 22.57 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -89.74 -79.11 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.253 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 114' ' ' VAL . 6.5 m -44.75 -44.74 9.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.347 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.774 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.5 -44.39 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 0.6 OUTLIER -44.64 -43.47 8.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.102 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.619 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -75.25 -54.61 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.95 -20.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.699 ' HE2' ' CG ' ' A' ' 37' ' ' TRP . 3.2 tpt -101.54 -35.78 9.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 2.5 t -46.9 -51.55 16.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 108.258 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.853 ' CE1' HD21 ' A' ' 90' ' ' LEU . 3.1 t80 -65.58 -33.48 76.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -70.84 -30.38 66.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -67.98 -36.65 80.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.355 1.035 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.72 ' CD ' HG21 ' A' ' 93' ' ' ILE . 53.9 mm-40 -55.72 -27.7 51.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' A' ' 125' ' ' LEU . 3.5 mm -66.3 -36.64 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.635 ' CD2' ' HA ' ' A' ' 39' ' ' ASP . 1.7 t60 -45.29 -19.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.69 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.485 ' N ' ' C ' ' A' ' 122' ' ' ILE . 29.3 mtmt -93.36 25.51 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.743 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -51.97 -100.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.635 ' H ' HD13 ' A' ' 125' ' ' LEU . 25.1 t30 -94.92 -31.58 13.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.61 ' H ' HD13 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -98.89 134.39 41.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.494 1.121 . . . . 0.0 108.003 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 68.5 t -105.6 116.76 59.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.355 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.635 ' HG3' ' CD2' ' A' ' 123' ' ' HIS . 18.2 Cg_endo -75.04 49.89 2.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.542 1.812 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -43.04 -35.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.3 ttt -105.71 108.82 20.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -120.03 124.55 46.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.876 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -41.49 114.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.507 HG12 HD13 ' A' ' 135' ' ' ILE . 7.3 p -116.08 -10.6 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.524 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.92 -21.02 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.781 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 76.73 31.86 52.33 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -132.13 171.34 13.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 0.755 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 138' ' ' VAL . 15.7 m -64.81 115.88 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 172.92 -54.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.68 164.48 23.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -70.62 85.14 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.506 HG21 ' HB3' ' A' ' 133' ' ' LEU . 76.5 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 5.6 mm-40 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.511 HG23 ' HB1' ' A' ' 31' ' ' ALA . 4.5 mm -57.47 -37.5 58.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -5.22 26.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.5 104.18 8.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -123.58 142.08 51.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.012 HD12 ' HB3' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -58.86 171.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.748 ' H ' HD13 ' A' ' 8' ' ' LEU . 58.7 m -47.67 -85.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 12' ' ' PHE . 82.3 m-20 -120.98 -38.74 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 1.012 ' HB3' HD12 ' A' ' 8' ' ' LEU . 2.1 t30 -33.8 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.56 ' CD1' HD21 ' A' ' 55' ' ' LEU . 9.2 m-85 -115.39 -68.64 0.91 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.95 -35.33 0.94 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 3.7 tmmm? -81.99 -51.77 7.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 0.757 . . . . 0.0 109.369 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.733 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -56.93 -43.72 81.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.58 1.175 . . . . 0.0 109.229 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.534 ' SD ' ' CG2' ' A' ' 30' ' ' VAL . 18.4 mmt -67.58 -42.15 83.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -68.53 -46.96 68.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.06 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 11.8 mt-30 -65.23 -37.67 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.49 ' HB3' HD12 ' A' ' 23' ' ' LEU . 7.6 m -61.74 -37.92 86.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 108.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -66.97 -6.88 18.58 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.368 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.86 -69.06 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 0.7 OUTLIER -48.39 -41.95 30.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 19' ' ' CYS . 2.7 mt -98.48 -11.62 22.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 50.64 16.56 0.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.769 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.27 169.97 15.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.826 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.4 Cg_endo -74.89 121.6 6.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 0.0 111.053 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.601 ' O ' HG22 ' A' ' 30' ' ' VAL . 9.8 t70 -68.43 0.13 4.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 26' ' ' PRO . 32.2 p -79.99 -42.12 24.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 26' ' ' PRO . 34.1 m -65.13 -35.39 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 27' ' ' ASP . 2.8 m -72.97 -40.36 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.511 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -68.88 -19.45 64.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.567 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 66.0 t0 -70.33 -33.83 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.48 ' N ' ' HE1' ' A' ' 37' ' ' TRP . 12.1 mt -53.25 -33.25 52.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -73.61 -22.05 60.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -68.81 -73.14 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.536 ' CB ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 160.14 28.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 1.195 . . . . 0.0 110.985 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -95.04 25.43 4.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.618 ' O ' ' CE2' ' A' ' 41' ' ' TYR . 5.3 mttp -45.02 -52.41 8.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.54 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 2.9 p-10 -46.57 -33.0 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.601 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 10.2 t0 -83.61 85.75 7.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 38' ' ' LYS . 96.7 m-85 -99.53 -169.99 1.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.761 HG22 ' HA ' ' A' ' 46' ' ' ARG . 24.4 t -33.76 -35.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.243 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -38.94 -27.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -117.69 -53.46 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -128.41 110.83 12.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.761 ' HA ' HG22 ' A' ' 42' ' ' VAL . 1.8 tmm_? -70.0 -41.48 74.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.65 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.72 -44.06 27.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.244 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.17 70.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.517 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -80.62 -31.58 36.26 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.16 -45.83 17.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -55.11 -47.08 75.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -56.87 -38.94 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -44.36 96.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.618 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -63.12 -21.27 66.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.591 1.182 . . . . 0.0 108.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.733 HD22 ' HB3' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -52.97 -35.42 58.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.882 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -74.95 -12.53 60.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.65 -60.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.653 ' O ' HG22 ' A' ' 61' ' ' VAL . 33.8 mmtt -111.92 95.53 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.882 HD23 ' O ' ' A' ' 56' ' ' ALA . 8.6 mt -60.39 -15.54 27.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.34 -23.24 62.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.219 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.4 m -81.77 -41.83 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.634 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.89 -46.66 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 p30 -123.32 106.26 33.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -41.36 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.54 -0.79 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 104.92 41.54 1.95 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.665 ' OD1' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -52.01 -35.49 46.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.975 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -168.94 -174.52 2.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.493 ' N ' HD13 ' A' ' 68' ' ' LEU . 40.9 m-70 -146.02 118.83 8.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.19 . . . . 0.0 109.585 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.508 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 11.4 t60 -43.87 141.76 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.83 -45.35 3.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -128.24 79.52 1.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 0.747 . . . . 0.0 109.346 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -64.32 131.02 46.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.8 172.19 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.51 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 42.8 m-20 -70.27 -0.72 8.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 26.5 m-85 -88.87 -45.02 10.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.609 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -66.31 -58.79 4.59 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.545 ' CE ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -75.83 41.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 1.2 ttmm -143.92 -57.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.609 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -70.36 -4.75 23.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.618 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.62 41.32 0.75 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.438 1.086 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.756 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.25 133.66 45.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.8 OUTLIER -80.23 139.7 36.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -40.81 -32.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.287 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.405 ' OG1' ' HG3' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -76.8 -43.28 37.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.408 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.756 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.11 -28.82 41.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.485 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -53.59 -51.55 62.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.6 -43.27 8.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.9 mt-30 -46.0 -59.69 2.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.769 HD11 ' CE1' ' A' ' 118' ' ' PHE . 10.1 mt -46.29 -44.39 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.583 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.6 t -56.28 -15.6 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 89' ' ' GLN . 5.1 m-20 -76.72 -71.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.702 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -62.64 -47.19 94.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.617 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.54 -26.91 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.9 m170 -76.25 -30.46 57.88 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.534 1.146 . . . . 0.0 109.659 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.38 -23.72 36.19 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.543 1.152 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 101' ' ' ALA . 2.7 m -90.1 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 1.7 tt0 -45.57 -35.31 3.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.245 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -73.01 -30.5 63.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.609 1.193 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.41 -6.58 40.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.94 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.571 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -115.47 82.7 9.96 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.582 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.91 176.28 10.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 44.45 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' A' ' 102' ' ' PRO . 1.2 t-20 -63.69 142.3 58.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' ' 107' ' ' LYS . 31.0 m-20 -56.54 -19.87 17.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.8 OUTLIER -82.18 32.71 0.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.44 ' H ' ' C ' ' A' ' 105' ' ' ASP . 11.3 pttt -40.3 -28.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.474 ' N ' ' C ' ' A' ' 106' ' ' ASP . 33.4 t -61.64 -52.45 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 108.294 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -90.85 -13.51 33.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.582 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.3 OUTLIER -89.4 -69.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 8.2 m -42.92 -44.99 4.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.675 ' HA ' ' HB3' ' A' ' 115' ' ' ALA . 0.0 OUTLIER -48.08 -48.09 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 116' ' ' MET . 2.6 t70 -40.55 -48.81 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.235 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.571 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -84.73 -49.55 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -45.08 -25.75 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.584 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -105.16 -33.14 8.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.133 . . . . 0.0 110.982 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 17.5 t -39.54 -55.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.769 ' CE1' HD11 ' A' ' 90' ' ' LEU . 1.2 t80 -65.65 -42.26 91.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.555 ' HA ' HD13 ' A' ' 122' ' ' ILE . 19.4 mttp -59.3 -29.95 67.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 41' ' ' TYR . 5.3 mttp -60.65 -28.6 68.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 124' ' ' LYS . 8.0 mm-40 -59.59 -28.9 67.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.782 ' N ' HD12 ' A' ' 122' ' ' ILE . 2.2 mp -82.25 -42.26 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -48.06 -21.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.4 OUTLIER -98.87 25.94 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.923 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.0 OUTLIER -41.93 -95.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.691 ' H ' HD13 ' A' ' 125' ' ' LEU . 7.5 m120 -104.58 -3.31 23.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.923 ' CD2' HD11 ' A' ' 125' ' ' LEU . 1.3 m0 -90.26 154.39 19.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.8 m -92.6 121.06 66.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.435 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.2 Cg_endo -75.02 51.98 2.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.571 1.827 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' PRO . 13.6 t-20 -38.81 -31.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.17 . . . . 0.0 109.367 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.435 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.6 OUTLIER -98.04 99.97 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.899 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 8.0 m-20 -127.98 96.47 4.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.852 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -171.68 125.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.524 ' HB ' HD13 ' A' ' 135' ' ' ILE . 90.4 t -114.57 -60.18 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.39 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.524 HD13 ' HB ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -105.36 -11.26 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.3 26.7 35.52 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.91 174.78 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.539 ' O ' HD23 ' A' ' 139' ' ' LEU . 0.5 OUTLIER -75.4 114.32 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER 174.34 -70.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.899 ' HB1' ' HB3' ' A' ' 132' ' ' ASP . . . -78.99 165.19 23.72 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.454 1.097 . . . . 0.0 109.238 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.413 ' N ' ' HB3' ' A' ' 132' ' ' ASP . 4.2 mt-10 -69.42 87.07 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 -179.94 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.541 ' OE2' ' CZ ' ' A' ' 34' ' ' TYR . 5.9 mm-40 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.605 HD11 ' OD1' ' A' ' 35' ' ' ASN . 4.9 mm -53.79 -39.83 41.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 ttm -94.51 -11.85 28.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -109.65 105.63 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.213 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -119.53 145.98 45.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 109.384 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.967 HD12 ' HB3' ' A' ' 11' ' ' ASN . 0.8 OUTLIER -60.08 171.05 1.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.778 ' H ' HD13 ' A' ' 8' ' ' LEU . 42.7 t -47.13 -80.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.455 1.097 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 12' ' ' PHE . 71.6 m-20 -121.36 -39.01 2.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.967 ' HB3' HD12 ' A' ' 8' ' ' LEU . 2.2 t30 -34.36 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.64 ' CD1' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -115.1 -66.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.6 -34.8 1.85 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 24.7 ttpp -80.44 -53.96 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.802 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -57.67 -40.98 80.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.44 -48.11 76.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.1 -39.96 86.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 15.3 mt-30 -70.4 -42.64 71.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.507 ' O ' HD12 ' A' ' 25' ' ' LEU . 4.3 m -62.08 -40.41 95.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.217 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.587 ' O ' ' HA ' ' A' ' 24' ' ' SER . 1.1 ttpm? -66.48 -4.52 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.83 -69.6 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -46.71 -44.51 18.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -99.34 -11.15 21.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 50.22 18.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -81.89 168.46 23.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.361 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.899 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.4 Cg_endo -75.02 119.22 5.55 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.5 1.789 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.54 ' HA ' HG22 ' A' ' 30' ' ' VAL . 24.7 p-10 -67.05 0.35 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 26' ' ' PRO . 6.8 p -81.3 -40.76 23.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.4 m -64.76 -37.0 79.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.565 HG11 ' CB ' ' A' ' 51' ' ' ALA . 34.9 m -77.53 -31.13 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -65.34 -17.49 64.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.422 ' HA ' ' HB2' ' A' ' 35' ' ' ASN . 11.7 t0 -81.02 -19.4 43.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.692 ' CD2' ' CH2' ' A' ' 37' ' ' TRP . 13.3 mt -50.34 -50.95 49.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.541 ' CZ ' ' OE2' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -67.87 -21.88 65.14 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 0.0 110.927 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.605 ' OD1' HD11 ' A' ' 4' ' ' ILE . 0.8 OUTLIER -74.29 -73.2 0.24 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 0.4 OUTLIER 158.8 48.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 111.081 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.692 ' CH2' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.35 16.65 9.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 108.044 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -44.61 -55.53 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -51.68 -35.63 43.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.567 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 19.5 t0 -76.09 56.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.219 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.665 ' CD1' ' HB2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -57.46 173.2 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 111.093 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.838 HG22 ' HA ' ' A' ' 46' ' ' ARG . 2.2 t -43.18 -36.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.665 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 14.5 mtp -39.37 -27.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.3 m -108.13 -52.61 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.31 98.04 4.59 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.838 ' HA ' HG22 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -67.75 -32.34 72.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.849 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -55.23 -44.28 75.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.173 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.433 ' HA ' HG12 ' A' ' 30' ' ' VAL . . . -60.32 -32.07 70.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.667 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -80.71 -31.23 36.91 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.511 1.132 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.01 -44.39 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.565 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -59.58 -49.16 78.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.667 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -50.15 -36.49 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.533 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -62.77 -43.58 98.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.64 ' O ' HG22 ' A' ' 57' ' ' THR . 0.4 OUTLIER -64.83 -28.63 69.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 108.356 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -53.46 -33.23 53.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.61 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.41 -13.21 60.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -18.08 -59.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.472 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 61' ' ' VAL . 44.0 mmtt -112.54 94.5 4.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.69 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -61.63 -16.09 45.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -22.56 63.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.3 m -82.99 -41.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.69 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.12 -45.05 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 4.4 p30 -122.31 103.02 39.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.17 -42.13 0.53 Allowed 'Trans proline' 0 C--N 1.362 1.262 0 O-C-N 124.455 1.766 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -111.74 0.54 16.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.66 41.38 1.87 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 14.4 t-20 -53.44 -37.31 62.48 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 0.738 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.044 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -171.94 -176.74 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.659 ' CD2' HD23 ' A' ' 59' ' ' LEU . 49.4 m80 -146.15 118.29 8.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.54 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.533 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 10.2 t-80 -42.46 140.55 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.65 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.33 -45.24 3.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.582 1.176 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -127.82 82.19 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.595 0.821 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.75 130.37 43.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.15 172.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.565 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.5 OUTLIER -70.17 -1.41 10.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -86.3 -45.48 11.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.506 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . . . -67.62 -58.43 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.565 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -75.5 41.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.918 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.478 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 2.7 tttp -148.99 -55.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -69.43 -5.59 24.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.556 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -155.59 43.81 0.55 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.781 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.16 133.7 46.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 109.205 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 86' ' ' MET . 4.6 m-20 -81.51 141.35 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -31.21 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 2.2 t -75.51 -43.7 47.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.614 1.196 . . . . 0.0 110.475 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.781 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.23 -26.96 31.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 111.018 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.476 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -53.67 -55.83 22.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -94.01 -43.2 8.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 62.7 mm-40 -44.1 -60.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.723 ' O ' HD13 ' A' ' 93' ' ' ILE . 15.7 mt -46.58 -43.4 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.577 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.9 t -57.05 -15.9 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 3.7 m-20 -76.84 -71.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.723 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -60.91 -47.0 95.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.618 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.76 -28.5 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 2.5 m170 -76.38 -29.68 57.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.585 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.421 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -87.73 -24.24 36.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -89.37 -61.94 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.5 OUTLIER -45.76 -34.07 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.96 -30.57 61.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.358 1.036 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.532 ' OG ' HG21 ' A' ' 138' ' ' VAL . 0.2 OUTLIER -94.86 -6.83 41.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.39 83.56 10.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.59 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.6 Cg_endo -75.01 176.8 9.44 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.6 Cg_endo -75.02 46.74 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.529 1.805 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.412 ' OD1' ' HG2' ' A' ' 102' ' ' PRO . 27.9 m120 -63.76 142.12 58.52 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.7 OUTLIER -56.95 -18.79 14.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -81.72 32.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.489 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 19.0 ptmt -41.13 -25.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.473 ' N ' ' O ' ' A' ' 106' ' ' ASP . 25.0 t -61.52 -50.74 71.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 108.3 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.7 ttp -102.6 -4.9 24.51 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.59 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -89.1 -69.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.419 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 6.0 m -52.51 -42.5 64.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.685 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.26 -46.57 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.181 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 116' ' ' MET . 1.2 t0 -42.84 -45.41 4.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.567 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -79.24 -48.91 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -51.85 -20.23 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.483 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 8.2 ptt? -104.93 -27.73 11.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 116' ' ' MET . 6.9 t -48.98 -55.3 12.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 108.297 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.712 ' CE1' HD11 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -64.91 -43.78 91.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 0.0 110.975 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -59.83 -29.21 68.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.391 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -59.85 -33.32 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -59.01 -29.41 67.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.68 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.4 mm -76.71 -37.53 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.459 ' CE1' ' HB3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -47.9 -18.77 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.513 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.471 ' N ' ' C ' ' A' ' 122' ' ' ILE . 5.5 mttp -96.52 26.23 4.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.876 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -44.81 -95.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.642 ' H ' HD13 ' A' ' 125' ' ' LEU . 7.7 m120 -103.32 -4.0 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.876 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.8 OUTLIER -91.0 153.88 19.84 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.24 118.29 59.32 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.47 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.2 Cg_endo -75.05 51.63 2.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.57 1.826 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -43.1 -26.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.45 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -92.99 100.87 13.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.502 ' O ' ' C ' ' A' ' 133' ' ' LEU . 1.0 OUTLIER -128.75 126.47 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.891 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -31.98 117.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.4 ' H ' HD13 ' A' ' 135' ' ' ILE . 7.7 p -115.43 7.7 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.385 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.519 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -97.93 -10.2 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.634 1.209 . . . . 0.0 109.342 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.99 33.39 18.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.474 ' H ' HD23 ' A' ' 133' ' ' LEU . 1.5 tt0 -107.27 134.23 50.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 0.787 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.532 HG21 ' OG ' ' A' ' 100' ' ' SER . 14.7 m -66.82 121.13 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.3 mt 173.01 -68.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.398 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.629 ' HB3' HD12 ' A' ' 133' ' ' LEU . . . -83.4 165.93 18.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 142' ' ' VAL . 0.7 OUTLIER -74.24 90.28 2.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 110.231 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.454 ' CA ' HD11 ' A' ' 133' ' ' LEU . 25.0 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.545 HD12 ' HB1' ' A' ' 31' ' ' ALA . 5.7 mm -53.96 -36.9 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.355 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.0 ptm -54.17 -30.22 48.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.73 105.78 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.576 1.172 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -119.89 138.92 53.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.344 1.028 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.824 HD11 ' HB2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.87 -167.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t -59.43 -102.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.015 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.612 ' O ' ' N ' ' A' ' 12' ' ' PHE . 1.9 m-20 -125.24 -27.97 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.54 ' C ' ' O ' ' A' ' 10' ' ' ASN . 4.6 m-20 -27.63 -39.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.157 . . . . 0.0 109.28 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.824 ' HB2' HD11 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -106.9 -64.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 111.028 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.36 -33.58 1.42 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -75.3 -54.59 6.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 0.803 . . . . 0.0 109.286 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.732 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -60.33 -43.76 96.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.727 ' SD ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -63.17 -38.28 90.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.18 -43.6 73.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.393 1.058 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.42 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 20.6 mt-30 -71.15 -35.25 71.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.537 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -64.47 -35.33 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -66.27 -6.8 15.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -112.07 -68.09 0.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 19' ' ' CYS . 1.9 pt-20 -49.19 -44.14 42.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.261 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 71.3 mt -97.71 -11.14 23.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.3 m 50.4 18.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.047 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.41 166.53 35.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.992 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -74.95 120.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.526 ' HA ' ' CG2' ' A' ' 30' ' ' VAL . 11.6 t0 -66.84 -1.93 4.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 26' ' ' PRO . 20.5 p -82.44 -39.3 22.78 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.992 HG22 ' O ' ' A' ' 26' ' ' PRO . 31.8 m -63.44 -36.72 77.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.622 1.201 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.53 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -77.47 -32.67 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.361 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.545 ' HB1' HD12 ' A' ' 4' ' ' ILE . . . -68.49 -16.93 64.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -77.07 -21.03 55.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -55.82 -51.05 68.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -21.44 61.39 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 17.2 t30 -75.58 -65.51 0.89 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 163.27 46.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.629 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.17 12.77 19.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 108.001 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 1.5 ttmt -44.83 -55.68 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' CB ' ' CG ' ' A' ' 123' ' ' HIS . 0.5 OUTLIER -65.31 -28.15 69.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.571 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 17.5 t0 -69.16 87.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.553 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 50.7 t80 -90.24 172.88 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.89 HG22 ' HA ' ' A' ' 46' ' ' ARG . 25.1 t -38.99 -29.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' TYR . 9.9 tpt -39.42 -27.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -111.42 -59.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.477 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -134.36 114.1 12.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.89 ' HA ' HG22 ' A' ' 42' ' ' VAL . 1.3 ttm180 -75.74 -39.77 56.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.648 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.28 -43.37 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 52' ' ' ILE . . . -60.85 -33.12 72.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.487 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -83.08 -31.85 27.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.9 -45.56 20.36 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.53 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -56.58 -47.77 78.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.648 HG12 HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -54.7 -42.84 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.361 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.44 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -56.82 -41.22 77.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 1.003 ' O ' HG23 ' A' ' 57' ' ' THR . 0.5 OUTLIER -65.58 -29.69 70.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 108.171 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.756 HD21 ' HA ' ' A' ' 12' ' ' PHE . 2.2 tm? -41.35 -27.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 109.276 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.632 ' HB1' ' CD1' ' A' ' 59' ' ' LEU . . . -61.23 -12.64 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 1.003 HG23 ' O ' ' A' ' 54' ' ' CYS . 27.8 p -17.07 -61.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.669 ' O ' HG22 ' A' ' 61' ' ' VAL . 11.7 mmtt -114.85 93.1 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.649 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 1.1 mp -58.15 -15.85 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.72 -24.33 63.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.7 m -80.24 -41.43 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.649 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.23 -46.26 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' LEU . 5.2 p-10 -124.2 105.44 31.41 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -43.17 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.424 1.749 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -112.81 2.66 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.19 39.33 2.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.401 1.063 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.683 ' OD1' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -53.54 -37.73 63.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.032 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -168.78 -176.49 2.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.402 1.064 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.501 ' N ' HD22 ' A' ' 68' ' ' LEU . 10.1 m-70 -147.25 112.08 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.578 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 3.8 t-80 -40.65 143.39 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 109.615 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.78 -45.0 3.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -129.49 74.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.81 130.38 43.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -61.77 168.84 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.49 ' O ' ' HE1' ' A' ' 78' ' ' MET . 1.3 m-20 -71.75 1.75 6.41 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.575 1.172 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.455 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 4.6 t80 -100.55 -28.46 12.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.371 1.044 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' A' ' 68' ' ' LEU . . . -54.48 -76.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.743 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -76.56 39.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.491 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -144.81 -55.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.455 ' ND1' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -70.46 -5.7 30.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.589 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.8 24.16 1.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' HG2' ' A' ' 86' ' ' MET . . . -131.99 149.34 52.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.45 142.16 53.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 109.376 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.57 -35.66 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 7.3 t -81.4 -44.5 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.56 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 12.7 ttm -53.52 -42.66 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -54.19 -46.75 72.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.45 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.4 OUTLIER -74.17 -41.93 60.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.242 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.3 mm100 -48.42 -54.48 13.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.899 HD21 ' CD1' ' A' ' 118' ' ' PHE . 7.3 mp -46.81 -45.52 20.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.545 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 9.4 t -52.43 -17.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 45.4 t0 -76.32 -68.69 0.56 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.98 -46.98 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.671 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -51.92 -24.57 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.213 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.6 -30.74 57.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.63 -24.68 29.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.567 1.167 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 100' ' ' SER . 0.7 OUTLIER -87.94 -63.77 1.25 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 16.4 tt0 -45.77 -33.91 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.201 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.425 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 27.3 pttt -73.46 -31.22 63.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.9 -7.03 41.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.08 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.63 83.31 11.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.574 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.3 Cg_endo -74.98 175.84 10.7 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 111.066 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 17.9 Cg_endo -75.01 45.4 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.578 1.83 . . . . 0.0 111.028 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 102' ' ' PRO . 32.1 t-20 -63.4 143.77 57.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.098 . . . . 0.0 109.364 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 107' ' ' LYS . 1.4 m-20 -57.08 -19.07 17.16 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.602 1.189 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 110' ' ' LYS . 43.3 m-20 -81.86 30.96 0.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.445 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 2.3 mtpt -41.23 -26.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.469 ' N ' ' C ' ' A' ' 106' ' ' ASP . 32.4 t -61.68 -51.44 68.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.563 1.164 . . . . 0.0 108.25 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.3 OUTLIER -97.01 -10.18 26.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.574 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.4 -69.34 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.441 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 7.0 m -48.19 -42.95 31.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.728 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.68 -46.48 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -43.06 -54.06 4.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.497 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -76.23 -48.48 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.612 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -47.46 -23.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.578 ' HG3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -105.54 -36.56 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 116' ' ' MET . 4.4 t -41.19 -51.51 3.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 108.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.899 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -66.31 -45.08 81.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.424 ' HB3' ' CE ' ' A' ' 116' ' ' MET . 6.2 mttt -59.05 -30.87 68.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.1 OUTLIER -61.18 -28.41 69.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 16.1 mm-40 -59.01 -28.81 66.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.656 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.5 mm -78.79 -36.86 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.574 ' CG ' ' CB ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -47.36 -18.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.685 1.241 . . . . 0.0 109.635 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.452 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -95.4 26.82 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.831 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.77 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.61 ' H ' HD13 ' A' ' 125' ' ' LEU . 14.5 t-20 -112.64 -6.19 13.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.831 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -91.79 152.16 20.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 128' ' ' VAL . 2.9 m -94.39 117.81 67.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.445 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.0 Cg_endo -74.95 51.12 2.69 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 129' ' ' PRO . 2.3 t-20 -39.23 -31.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.445 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -95.69 100.54 12.24 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.573 1.171 . . . . 0.0 111.054 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.427 ' HB3' ' N ' ' A' ' 141' ' ' GLU . 0.2 OUTLIER -118.63 106.15 12.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.802 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -175.83 115.81 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.522 ' HB ' HD13 ' A' ' 135' ' ' ILE . 92.4 t -115.29 -60.22 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.522 HD13 ' HB ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -105.45 -19.95 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.52 30.28 27.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.35 173.0 6.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 138' ' ' VAL . 13.2 m -65.06 99.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.43 -63.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.63 165.19 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.427 ' N ' ' HB3' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -73.35 84.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 15.9 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.796 HD11 HD21 ' A' ' 35' ' ' ASN . 16.4 mm -52.06 -41.6 32.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.41 0.28 17.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 105.19 8.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.226 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -123.32 139.93 53.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.876 HD12 ' CG ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -69.21 -170.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.393 1.058 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -52.45 -99.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.086 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' PHE . 43.1 m-20 -121.8 -31.37 3.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.639 1.212 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.876 ' CG ' HD12 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -26.77 -42.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 1.137 ' CE1' HD21 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -109.46 -64.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.435 ' HA2' ' SD ' ' A' ' 16' ' ' MET . . . -40.81 -34.79 0.81 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.488 1.118 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' A' ' 10' ' ' ASN . 18.0 ttpp -80.93 -42.56 21.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.692 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -56.99 -47.82 79.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.6 ' HE3' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -72.96 -38.22 66.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 8.2 t70 -65.88 -39.98 91.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.506 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.4 mt-30 -71.81 -42.45 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.701 ' HB3' HD11 ' A' ' 25' ' ' LEU . 1.1 m -62.33 -40.59 96.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.49 ' CD ' ' HB3' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -57.07 -13.37 2.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -109.34 -70.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.543 ' HG3' HD23 ' A' ' 23' ' ' LEU . 3.0 pt-20 -57.42 -34.47 68.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.543 HD23 ' HG3' ' A' ' 22' ' ' GLU . 4.1 mm? -97.85 -12.51 22.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m 45.45 21.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.967 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -91.64 168.35 13.45 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.975 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.4 Cg_endo -74.98 120.71 6.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.579 1.831 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.49 ' HB3' ' CD ' ' A' ' 20' ' ' LYS . 40.0 p-10 -66.99 -0.68 3.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 0.0 109.232 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.433 ' H ' ' C ' ' A' ' 26' ' ' PRO . 29.7 p -82.44 -39.85 21.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.975 HG22 ' O ' ' A' ' 26' ' ' PRO . 28.2 m -61.62 -37.37 77.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.494 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 11.9 p -77.71 -33.09 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.522 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.85 -13.39 62.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 9.2 t0 -72.01 -33.21 67.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.146 HD13 ' CZ3' ' A' ' 37' ' ' TRP . 7.2 tp -54.22 -35.02 61.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.481 ' HB2' ' O ' ' A' ' 31' ' ' ALA . 11.0 m-85 -52.79 -37.59 59.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.373 1.046 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.796 HD21 HD11 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -86.44 -70.69 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 2.0 m-85 178.28 66.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.425 1.078 . . . . 0.0 111.038 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 1.146 ' CZ3' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.83 15.87 12.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.0 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' O ' ' CE ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -54.76 -55.93 24.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.633 ' HB2' ' CE1' ' A' ' 123' ' ' HIS . 0.3 OUTLIER -59.66 -33.46 71.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.36 85.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.836 ' CZ ' HG22 ' A' ' 42' ' ' VAL . 32.6 t80 -92.53 164.05 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.068 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.836 HG22 ' CZ ' ' A' ' 41' ' ' TYR . 27.5 m -40.38 -28.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.431 1.082 . . . . 0.0 109.238 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' TYR . 11.2 tpt -38.22 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -112.56 -53.03 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.361 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -133.05 107.74 8.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -63.35 -44.34 95.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.623 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -46.81 -43.45 18.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.68 -32.71 59.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -81.56 -30.56 36.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.71 -40.05 42.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HB1' ' CG2' ' A' ' 30' ' ' VAL . . . -55.54 -48.16 75.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.495 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.7 OUTLIER -62.53 -47.29 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' HA ' ' NE2' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -60.02 -45.28 93.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.427 1.079 . . . . 0.0 109.366 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -64.57 -21.9 66.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 108.299 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.137 HD21 ' CE1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -52.93 -33.73 52.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.622 1.201 . . . . 0.0 109.347 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.616 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -71.59 -12.05 61.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.232 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.616 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -16.61 -60.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 110.448 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.673 ' O ' HG22 ' A' ' 61' ' ' VAL . 15.2 mmtt -112.08 94.97 5.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.638 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.7 OUTLIER -59.0 -16.26 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.41 -22.58 62.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.5 m -82.34 -41.73 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.638 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.88 -45.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.238 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.6 p-10 -123.09 103.35 36.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -42.03 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.93 0.38 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.87 39.44 2.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.958 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.427 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 63.2 t30 -53.43 -37.76 62.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.999 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -167.18 -176.5 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.471 ' N ' HD13 ' A' ' 68' ' ' LEU . 5.9 m-70 -146.71 118.71 8.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.528 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 8.3 t60 -42.04 142.58 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.607 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.61 -44.69 2.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -128.84 76.76 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.803 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -60.51 131.25 50.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -60.73 171.34 1.18 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.561 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 3.0 m-20 -70.23 -2.21 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.92 -46.09 10.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.6 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -65.67 -58.95 4.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.561 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -76.38 42.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 111.008 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.483 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.3 OUTLIER -152.06 -52.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.6 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -67.84 -6.47 21.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.072 . . . . 0.0 109.586 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -159.65 44.94 0.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.571 1.17 . . . . 0.0 111.016 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.768 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.01 132.97 45.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.763 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' MET . 7.7 m-20 -79.92 141.44 36.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.01 -32.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.311 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -77.38 -41.92 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.87 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -54.19 -24.53 18.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -59.98 -54.22 48.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.53 -43.37 11.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.629 1.206 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.6 mt-30 -43.3 -62.22 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.046 HD21 ' CE1' ' A' ' 118' ' ' PHE . 6.4 mp -49.24 -43.97 43.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.227 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 0.9 OUTLIER -56.31 -18.35 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 109.358 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 39.0 t0 -73.54 -69.36 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.64 -46.79 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.599 1.187 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.627 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.85 -27.46 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.394 1.059 . . . . 0.0 109.367 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.563 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -75.53 -31.11 59.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.565 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.403 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -89.43 -23.96 32.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.33 -61.83 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.486 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.1 tt0 -45.47 -35.33 3.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -73.89 -30.48 62.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.581 1.175 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.0 -5.43 44.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.95 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -114.66 82.8 8.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.559 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -74.99 176.47 9.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 44.97 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.4 1.737 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 102' ' ' PRO . 0.8 OUTLIER -63.78 141.4 58.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 107' ' ' LYS . 6.9 p-10 -56.54 -18.39 11.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.8 t0 -80.62 32.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.491 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 1.8 tmtt? -40.91 -26.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.475 ' N ' ' C ' ' A' ' 106' ' ' ASP . 11.4 t -62.21 -51.39 68.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.339 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.511 ' N ' ' O ' ' A' ' 106' ' ' ASP . 7.6 ttt -100.67 -4.93 27.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.079 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -90.02 -69.81 0.7 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.413 ' CB ' ' HG2' ' A' ' 107' ' ' LYS . 84.0 m -51.64 -41.45 61.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.714 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.45 -46.81 10.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.71 -52.33 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.523 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -75.84 -49.58 25.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -49.5 -22.2 1.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.59 -37.29 7.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.92 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.0 t -41.5 -54.4 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 108.271 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 1.046 ' CE1' HD21 ' A' ' 90' ' ' LEU . 1.4 t80 -66.29 -37.71 86.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -62.63 -30.43 71.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.182 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 116' ' ' MET . 27.0 mttt -61.56 -29.13 69.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.473 ' HA ' ' CE ' ' A' ' 124' ' ' LYS . 8.0 mm-40 -59.94 -28.47 67.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.24 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.63 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.6 mm -80.79 -36.42 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.633 ' CE1' ' HB2' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -47.24 -18.4 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.622 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.493 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -94.73 25.12 4.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.743 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -46.03 -95.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.687 ' H ' HD13 ' A' ' 125' ' ' LEU . 28.1 m-80 -96.46 -24.93 15.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.638 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -91.84 137.32 32.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 108.027 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 6.5 m -92.93 116.96 67.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.209 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.4 Cg_endo -75.03 50.3 2.5 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.427 1.751 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -40.18 -31.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.433 ' N ' ' C ' ' A' ' 129' ' ' PRO . 2.1 ttt -96.53 109.61 22.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.537 ' CG ' ' HB1' ' A' ' 140' ' ' ALA . 1.5 t0 -124.34 125.57 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.9 86.95 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.383 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.076 HG13 HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -118.41 -45.55 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 1.076 HD13 HG13 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -106.33 -20.63 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.231 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 70.11 23.38 77.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.66 1.225 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.2 173.48 10.08 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.443 0.731 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 138' ' ' VAL . 18.6 m -65.03 100.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER 177.12 -39.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.537 ' HB1' ' CG ' ' A' ' 132' ' ' ASP . . . -93.24 165.45 12.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.476 ' N ' ' CB ' ' A' ' 132' ' ' ASP . 0.0 OUTLIER -70.07 85.74 0.54 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.335 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -165.89 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.35 -25.14 33.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.335 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.484 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.5 mm -55.21 -37.77 44.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.04 -5.05 28.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -109.57 106.07 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -118.68 139.62 51.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.789 HD11 ' H ' ' A' ' 12' ' ' PHE . 3.3 pp -70.26 -164.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.494 ' O ' ' O ' ' A' ' 8' ' ' LEU . 28.9 t -47.27 -103.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 109.953 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.6 ' O ' ' N ' ' A' ' 12' ' ' PHE . 41.2 m-20 -125.55 -34.03 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.744 ' OD1' HG23 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -34.53 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.968 ' CD1' HD11 ' A' ' 55' ' ' LEU . 8.6 t80 -113.73 -64.34 1.32 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.17 -34.28 5.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 10' ' ' ASN . 2.6 ttpt -79.19 -53.82 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.666 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -56.3 -41.84 76.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.609 ' HE1' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -64.97 -47.14 78.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 110.956 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -67.38 -38.08 84.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.5 mt-30 -71.08 -41.15 71.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.726 ' HB3' HD12 ' A' ' 23' ' ' LEU . 60.1 m -62.01 -35.87 79.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.38 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 24' ' ' SER . 4.1 ttpt -67.77 -7.03 24.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.22 -68.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -48.58 -42.65 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.252 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.726 HD12 ' HB3' ' A' ' 19' ' ' CYS . 1.1 mt -98.75 -11.05 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.189 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.53 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.19 18.1 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.737 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -84.9 167.61 25.43 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.794 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.6 Cg_endo -74.97 119.83 5.82 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 111.051 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.503 ' HA ' HG12 ' A' ' 30' ' ' VAL . 30.5 p-10 -68.43 -0.83 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 26' ' ' PRO . 29.2 p -82.49 -41.4 19.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 26' ' ' PRO . 14.7 m -64.77 -36.6 78.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 27' ' ' ASP . 12.3 p -77.28 -31.73 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.378 1.049 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.55 -15.07 63.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.568 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 62.3 t0 -78.3 -30.8 48.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 33' ' ' LEU . 11.1 mt -52.17 -38.17 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.794 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -73.05 -21.36 60.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.536 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 1.1 t-20 -67.98 -73.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER 159.88 29.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -94.57 26.1 3.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 108.051 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.584 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -45.37 -46.18 12.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 3.0 t0 -48.63 -32.83 8.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.61 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 8.5 t70 -83.36 89.8 7.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.588 ' CE2' ' HD2' ' A' ' 120' ' ' LYS . 1.5 m-85 -90.66 -175.53 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.434 ' C ' ' N ' ' A' ' 44' ' ' THR . 6.0 m -40.6 -29.68 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.429 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -41.62 -25.3 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.547 1.154 . . . . 0.0 111.068 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.434 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -113.16 -54.7 2.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.555 ' OD2' HG21 ' A' ' 29' ' ' VAL . 1.2 t70 -135.51 99.22 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.387 1.054 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.785 ' HD2' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -62.44 -33.0 73.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.84 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -49.38 -44.42 44.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.55 64.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.23 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.419 ' C ' HG13 ' A' ' 112' ' ' ILE . . . -82.39 -30.64 33.03 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.536 1.148 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.25 -45.08 20.49 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.45 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -57.4 -47.76 80.86 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -60.03 -39.8 81.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.616 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -60.99 -43.83 98.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.603 ' O ' HG22 ' A' ' 57' ' ' THR . 0.0 OUTLIER -67.9 -20.46 65.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 108.245 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.968 HD11 ' CD1' ' A' ' 12' ' ' PHE . 1.3 tp -52.94 -37.64 61.18 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.601 1.188 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.857 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -72.36 -12.25 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.203 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -15.13 -59.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.71 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -111.79 103.81 12.09 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.857 HD23 ' O ' ' A' ' 56' ' ' ALA . 7.9 mt -71.05 -18.78 62.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -32.29 73.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.71 HG22 ' O ' ' A' ' 58' ' ' LYS . 18.9 m -89.26 -39.22 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.744 HG23 ' OD1' ' A' ' 11' ' ' ASN . 0.9 OUTLIER -68.76 -41.41 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.446 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -134.73 106.17 10.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -111.07 4.14 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.446 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.48 45.99 2.05 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.14 . . . . 0.0 111.066 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -52.35 -37.33 55.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 0.735 . . . . 0.0 109.283 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.024 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.38 -174.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.531 ' N ' HD13 ' A' ' 68' ' ' LEU . 61.7 m80 -147.07 116.57 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.616 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 3.2 t60 -39.99 140.0 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.35 -45.14 3.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 2.1 t30 -127.18 79.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.725 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.15 130.28 42.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.4 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -60.49 171.0 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.389 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.538 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 12.5 m-20 -70.76 0.23 7.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.4 ' H ' ' C ' ' A' ' 74' ' ' LYS . 3.2 t80 -87.87 -45.98 9.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -63.59 -59.0 5.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.538 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -77.77 41.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 3.8 tptt -153.52 -53.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -68.77 -5.83 23.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.626 1.204 . . . . 0.0 109.62 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -160.45 39.6 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.544 ' HB1' ' SD ' ' A' ' 86' ' ' MET . . . -131.03 146.87 52.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 0.721 . . . . 0.0 109.372 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.77 138.56 33.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -42.87 -33.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -77.58 -44.28 28.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 110.359 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.647 ' HG3' HD22 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -55.48 -24.09 29.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -54.36 -60.08 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.456 ' HA ' ' CG2' ' A' ' 91' ' ' VAL . 0.6 OUTLIER -86.56 -41.63 14.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 92' ' ' ASP . 1.6 mt-30 -42.64 -60.85 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.04 HD21 ' CE1' ' A' ' 118' ' ' PHE . 7.4 mp -47.07 -40.77 15.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.56 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.8 t -56.78 -15.39 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.373 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 89' ' ' GLN . 2.3 m-20 -76.93 -69.29 0.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.75 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -63.23 -46.72 95.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.608 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -53.03 -26.93 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 2.1 m170 -75.86 -30.5 58.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.634 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' C ' ' HG2' ' A' ' 99' ' ' LYS . . . -88.65 -24.66 32.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -89.23 -62.76 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -45.64 -33.64 3.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 95' ' ' HIS . 2.3 pttt -73.3 -31.4 64.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.64 -8.4 34.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.038 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.48 80.31 12.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.09 171.59 18.02 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 44.67 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 102' ' ' PRO . 1.3 t-20 -61.4 149.79 37.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.421 ' C ' ' H ' ' A' ' 107' ' ' LYS . 12.4 m-20 -53.45 -26.81 21.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -83.61 29.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 105' ' ' ASP . 14.5 pttt -39.87 -30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.445 ' N ' ' C ' ' A' ' 106' ' ' ASP . 7.0 t -51.97 -48.27 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' ASP . 22.8 ttt -102.17 -5.95 23.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -90.43 -79.4 0.35 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 114' ' ' VAL . 8.2 m -45.15 -43.95 10.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.755 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.08 -45.92 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -40.8 -42.0 1.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.393 1.058 . . . . 0.0 109.285 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -80.92 -49.36 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.45 -22.18 1.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.469 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 16.1 ptt? -103.3 -31.17 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 116' ' ' MET . 1.8 t -50.8 -53.95 27.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 108.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 1.04 ' CE1' HD21 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -65.52 -32.64 74.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.093 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -57.64 -30.38 65.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.588 ' HD2' ' CE2' ' A' ' 41' ' ' TYR . 27.0 mtmt -63.95 -32.28 73.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.579 ' OE2' HG21 ' A' ' 93' ' ' ILE . 52.2 mm-40 -59.36 -27.68 66.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.233 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.671 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.4 mm -80.73 -40.2 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -21.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -103.66 30.85 4.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.761 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -42.93 -102.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.528 ' H ' HD13 ' A' ' 125' ' ' LEU . 39.7 m-80 -102.54 -30.12 11.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.745 ' H ' HD13 ' A' ' 125' ' ' LEU . 1.9 p-90 -108.7 135.94 49.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 107.982 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 128' ' ' VAL . 10.3 p -124.77 90.07 51.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 50.31 2.5 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -40.54 -35.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.27 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.6 mtp -134.94 100.76 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.786 ' O ' HG23 ' A' ' 134' ' ' VAL . 6.8 p-10 -126.08 125.0 41.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.802 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -44.97 116.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 132' ' ' ASP . 99.4 t -111.58 -53.77 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.381 1.05 . . . . 0.0 109.223 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.587 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.39 -15.87 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.342 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.0 33.11 19.09 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -105.72 172.61 6.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.631 ' O ' HG23 ' A' ' 138' ' ' VAL . 17.8 m -65.45 100.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.72 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -102.72 163.5 12.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.41 86.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.3 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.401 ' HB3' ' CB ' ' A' ' 5' ' ' MET . 15.1 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -165.94 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -55.54 -25.2 36.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 110.248 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 31' ' ' ALA . 5.3 mm -54.02 -52.83 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.401 ' CB ' ' HB3' ' A' ' 1' ' ' SER . 0.0 OUTLIER -81.78 -0.42 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -112.62 105.11 13.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -119.51 140.3 50.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.742 HD22 ' HB2' ' A' ' 11' ' ' ASN . 1.2 tt -60.21 178.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.535 ' N ' HD23 ' A' ' 8' ' ' LEU . 52.9 m -49.38 -87.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.586 1.179 . . . . 0.0 109.981 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 12' ' ' PHE . 6.9 m120 -118.16 -38.14 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.742 ' HB2' HD22 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -35.78 -34.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' ASN . 15.2 m-85 -114.04 -69.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.4 -33.76 0.94 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.426 1.078 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 6.3 ttpt -80.29 -53.75 6.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.384 0.697 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.767 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -59.93 -44.71 94.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.52 ' CE ' HD23 ' A' ' 55' ' ' LEU . 26.6 mmt -62.59 -39.13 92.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.427 1.08 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -72.85 -44.63 61.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.421 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 14.3 mt-30 -67.92 -40.52 83.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.484 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 67.5 m -61.02 -38.26 85.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 108.318 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -67.65 -5.1 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.365 1.041 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.87 -68.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -45.33 -45.58 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.582 1.176 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 50' ' ' CYS . 1.8 mt -98.35 -11.37 22.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 51.77 17.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.945 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.74 166.6 35.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.966 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.1 Cg_endo -75.05 120.07 5.9 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.416 1.745 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -66.01 -2.17 3.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.202 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 26' ' ' PRO . 33.8 p -81.61 -40.19 23.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.185 . . . . 0.0 110.022 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.966 HG22 ' O ' ' A' ' 26' ' ' PRO . 35.4 m -64.28 -36.39 76.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.57 -32.13 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.481 ' O ' HD12 ' A' ' 4' ' ' ILE . . . -68.15 -18.56 64.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -65.46 -35.88 82.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.827 HD13 ' CZ3' ' A' ' 37' ' ' TRP . 3.6 tp -50.51 -48.96 56.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.539 ' CD1' ' HB3' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -51.02 -29.23 12.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -85.33 -67.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 169.45 53.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.827 ' CZ3' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.18 9.66 27.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.046 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -46.54 -54.19 9.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.206 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.34 -35.5 67.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 52.2 t0 -71.31 84.52 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.83 ' CZ ' HG22 ' A' ' 42' ' ' VAL . 28.3 t80 -81.86 163.31 22.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.83 HG22 ' CZ ' ' A' ' 41' ' ' TYR . 29.4 m -38.71 -30.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -40.04 -26.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -113.85 -50.04 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.85 93.46 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.503 ' HA ' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -66.86 -40.55 87.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.696 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -46.02 -42.97 13.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.93 -32.81 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.196 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.486 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -75.35 -32.29 55.61 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.407 1.067 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.58 ' HB3' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -81.03 -40.42 24.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.476 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . . . -61.06 -48.6 80.99 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.593 1.183 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -61.41 -40.22 85.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.05 -42.44 98.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.644 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -67.72 -21.05 65.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 108.299 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.767 HD22 ' HB3' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -52.72 -37.88 59.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.901 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -75.63 -11.58 60.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.405 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.654 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -12.94 -61.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 110.417 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.664 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -111.74 95.66 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.901 HD23 ' O ' ' A' ' 56' ' ' ALA . 6.4 mt -60.79 -17.04 47.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -67.82 -22.25 65.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.241 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.5 m -82.51 -41.68 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.431 1.082 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.661 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.18 -45.54 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -123.31 109.74 31.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.591 1.182 . . . . 0.0 109.339 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.89 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -111.32 -0.88 16.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 105.36 46.05 1.27 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -53.32 -36.02 60.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.325 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.997 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.48 -173.81 1.77 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.499 ' N ' HD13 ' A' ' 68' ' ' LEU . 57.4 m80 -144.73 117.94 8.95 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.095 . . . . 0.0 109.537 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 16.6 t60 -42.01 140.09 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.522 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.54 -45.61 3.12 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 1.7 t30 -124.43 77.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 109.316 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.0 130.81 44.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -60.88 172.2 1.02 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.325 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.53 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.5 OUTLIER -69.8 -1.89 10.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -88.54 -46.0 9.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.537 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . . . -65.33 -58.33 6.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.53 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -76.55 41.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.608 1.192 . . . . 0.0 111.011 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.486 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 7.8 tmtt? -149.59 -53.34 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.155 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -5.69 27.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.87 39.93 0.5 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.089 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.503 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.05 131.02 45.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.18 139.16 54.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.48 -33.32 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 1.2 t -75.95 -44.71 38.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.881 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.35 -24.01 41.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 110.941 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -53.93 -61.13 2.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.441 ' HA ' ' CG2' ' A' ' 91' ' ' VAL . 0.7 OUTLIER -88.63 -40.6 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.9 mt-30 -42.29 -61.43 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.261 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.881 HD22 ' SD ' ' A' ' 86' ' ' MET . 9.8 mp -47.19 -42.22 19.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.412 1.07 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.568 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 3.2 t -54.95 -16.31 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 1.5 m-20 -76.63 -69.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.61 -47.08 90.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.66 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.53 -25.68 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.6 m170 -75.96 -30.52 58.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.421 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -87.14 -23.97 39.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -90.16 -60.77 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.9 OUTLIER -45.65 -35.42 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.64 1.212 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -71.39 -30.81 66.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.45 -8.67 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 110.037 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.607 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -117.88 79.68 13.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -75.05 173.5 14.41 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.793 . . . . 0.0 110.988 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 42.83 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 102' ' ' PRO . 3.4 t-20 -61.73 150.04 37.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.425 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.9 OUTLIER -54.68 -21.6 11.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' MET . 4.2 m-20 -83.61 28.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 105' ' ' ASP . 22.3 pttt -40.51 -29.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.457 ' N ' ' C ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -54.97 -50.63 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.334 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 4.1 ptt? -101.36 -4.31 27.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -90.14 -79.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 114' ' ' VAL . 98.0 m -45.83 -44.34 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.732 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -46.72 -46.01 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 1.5 t70 -43.75 -43.52 6.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.607 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -77.96 -53.0 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.25 -20.94 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.469 ' CG ' HD11 ' A' ' 112' ' ' ILE . 5.6 mmm -102.97 -35.35 8.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 2.4 t -44.31 -54.77 5.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.364 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.82 ' CE1' HD21 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -65.14 -35.69 81.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -31.97 73.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -27.93 69.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.508 ' OE2' HG21 ' A' ' 93' ' ' ILE . 6.9 mm-40 -57.38 -27.5 62.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.652 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.4 mm -80.14 -39.73 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.427 1.079 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.454 ' CD2' ' C ' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -49.0 -21.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -99.41 28.91 4.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.765 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -44.43 -103.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.515 ' H ' HD13 ' A' ' 125' ' ' LEU . 8.2 t30 -103.82 -29.82 10.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.371 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.759 ' H ' HD13 ' A' ' 125' ' ' LEU . 25.6 p-90 -108.61 145.36 35.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 107.977 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 64.7 t -116.82 113.84 39.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 49.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -44.86 -35.23 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.62 109.42 21.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.579 1.174 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -128.95 125.1 36.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.869 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.3 111.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.224 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.416 HG12 HD13 ' A' ' 135' ' ' ILE . 6.2 p -116.4 -7.91 12.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.502 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.62 -20.85 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.766 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 75.65 31.95 55.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -131.23 170.7 14.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 0.74 . . . . 0.0 110.338 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 138' ' ' VAL . 16.0 m -65.77 114.33 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.398 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 175.18 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -90.82 164.79 13.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 85.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.523 ' H2 ' ' HB2' ' A' ' 5' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 1' ' ' SER . 18.3 Cg_endo -75.04 -164.32 0.23 Allowed 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.459 1.768 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 9.9 mm-40 -54.44 -25.16 23.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.4 mm -57.75 -38.44 65.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.523 ' HB2' ' H2 ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -97.82 -9.1 27.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -110.1 106.72 16.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -118.65 139.33 51.69 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 9' ' ' SER . 1.2 tt -63.53 -179.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.548 ' N ' HD23 ' A' ' 8' ' ' LEU . 28.1 t -48.98 -92.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.494 ' O ' ' C ' ' A' ' 11' ' ' ASN . 2.2 m-80 -119.19 -38.2 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.242 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -33.35 -37.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.905 ' CE1' HD21 ' A' ' 55' ' ' LEU . 23.6 m-85 -113.8 -64.94 1.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.411 1.069 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.99 -42.82 8.2 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 12.6 ttpt -72.46 -51.56 19.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 0.719 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.835 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -55.47 -42.37 74.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.605 1.191 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.595 ' HG3' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -67.22 -44.9 78.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.58 -37.65 85.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 16.8 mt-30 -71.88 -40.83 68.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.499 ' O ' HD12 ' A' ' 25' ' ' LEU . 90.9 m -65.33 -35.01 79.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -67.37 -7.14 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.616 1.197 . . . . 0.0 109.308 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.8 -68.06 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 1.7 pt-20 -49.09 -42.98 40.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD13 ' HB3' ' A' ' 50' ' ' CYS . 35.0 mt -97.95 -10.84 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 49.85 17.79 0.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 0.0 110.057 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.739 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -85.17 167.65 24.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.88 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -74.99 120.45 6.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 27.3 p-10 -68.34 -1.49 6.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 26' ' ' PRO . 13.2 p -82.57 -40.17 21.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.88 HG22 ' O ' ' A' ' 26' ' ' PRO . 24.9 m -64.59 -36.8 78.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.595 HG11 ' HG3' ' A' ' 16' ' ' MET . 9.2 p -77.45 -32.37 18.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.44 -17.62 63.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -75.18 -19.82 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.238 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.678 HD12 ' CG ' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -59.39 -50.84 72.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.506 ' OH ' ' CE2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -55.58 -21.44 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 36' ' ' PHE . 1.2 m-20 -78.63 -72.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 35' ' ' ASN . 9.7 p90 172.87 46.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.678 ' CG ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.24 13.67 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -43.66 -55.75 4.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.466 ' N ' ' HB2' ' A' ' 123' ' ' HIS . 0.6 OUTLIER -63.87 -32.25 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.513 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 43.1 t0 -70.14 59.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.598 ' CD1' ' CB ' ' A' ' 43' ' ' MET . 0.1 OUTLIER -63.25 172.65 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.835 HG11 ' CE ' ' A' ' 109' ' ' MET . 14.5 t -41.4 -35.41 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.598 ' CB ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -38.74 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 111.032 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -109.49 -49.78 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.42 98.73 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.744 ' HA ' HG13 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -66.07 -43.2 88.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.659 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -46.78 -43.47 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' HB1' HD11 ' A' ' 33' ' ' LEU . . . -55.12 -32.96 62.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.548 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -75.51 -32.05 55.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.711 ' HB3' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -81.93 -42.6 19.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.589 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . . . -55.96 -48.72 75.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.553 ' CD1' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -65.27 -35.75 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.405 ' ND2' ' HB ' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -58.39 -51.25 70.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.626 ' O ' HG22 ' A' ' 57' ' ' THR . 1.6 p -68.2 -25.09 65.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.35 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.905 HD21 ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -51.24 -36.17 40.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.871 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -74.29 -12.22 60.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.628 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.92 -60.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.737 ' HG2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -111.74 105.62 14.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.871 HD23 ' O ' ' A' ' 56' ' ' ALA . 3.6 mt -72.12 -21.95 61.4 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -35.06 77.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.737 HG13 ' HG2' ' A' ' 58' ' ' LYS . 31.3 m -84.97 -38.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.23 -45.44 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.5 OUTLIER -125.53 106.24 27.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -42.38 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.62 4.4 20.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.445 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.22 47.63 2.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -52.6 -37.65 58.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 0.716 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.996 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -174.05 -173.4 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.536 ' N ' HD13 ' A' ' 68' ' ' LEU . 78.6 m-70 -145.31 120.32 10.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.652 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.403 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 35.8 t60 -48.05 141.29 6.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.646 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 -45.9 3.21 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.606 1.191 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -128.91 81.02 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.776 . . . . 0.0 109.358 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -62.22 129.47 40.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -61.61 172.69 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.857 ' HA ' ' HE1' ' A' ' 78' ' ' MET . 2.9 m-20 -72.54 7.98 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 74' ' ' LYS . 5.7 m-85 -104.87 -28.99 10.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.786 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -68.16 -76.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.354 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.857 ' HE1' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -74.39 43.12 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.774 ' HB2' ' HE2' ' A' ' 78' ' ' MET . 3.6 tppt? -143.56 -51.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -67.82 -6.5 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.564 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -145.22 23.24 1.9 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.668 ' HB1' ' CB ' ' A' ' 86' ' ' MET . . . -132.41 160.49 36.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 0.747 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -95.8 149.86 21.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.72 -30.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 83' ' ' ASP . 1.5 t -66.36 -41.77 89.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.349 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.668 ' CB ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -45.24 -38.75 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 110.979 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -48.47 -49.28 36.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.17 -45.36 7.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 2.1 mt-30 -44.28 -56.73 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.636 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 9.0 mp -47.02 -49.34 21.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.542 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.5 t -54.69 -14.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 27.9 t0 -79.71 -71.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.636 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.37 -47.52 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.378 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.565 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -51.69 -24.63 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.399 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 0.9 OUTLIER -76.21 -30.38 57.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 109.639 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -87.49 -23.89 38.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.3 m -90.62 -61.19 1.73 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.6 tm-20 -45.59 -32.57 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.97 -30.72 61.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.357 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.25 -8.28 33.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.431 1.082 . . . . 0.0 110.052 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.597 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -116.88 80.85 11.47 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.432 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.11 172.37 16.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 43.57 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.432 ' H ' ' C ' ' A' ' 102' ' ' PRO . 3.3 t-20 -61.87 148.73 42.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -55.24 -23.16 21.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.3 OUTLIER -83.67 30.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 105' ' ' ASP . 17.7 mtmt -40.21 -30.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 106' ' ' ASP . 12.2 t -54.86 -48.94 72.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 108.267 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.835 ' CE ' HG11 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -101.16 -6.73 23.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.984 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -89.41 -79.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 114' ' ' VAL . 10.9 m -43.66 -42.42 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.413 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.723 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -44.57 -46.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.492 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -42.54 -42.4 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.597 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -81.66 -49.07 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.226 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.79 -22.03 1.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.468 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 13.1 ptt? -102.74 -29.25 11.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 116' ' ' MET . 2.3 t -53.95 -47.46 71.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.317 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.463 ' CE1' HD21 ' A' ' 90' ' ' LEU . 2.0 t80 -63.88 -46.19 86.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -30.69 71.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -29.28 62.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.591 ' OE1' HD12 ' A' ' 90' ' ' LEU . 35.7 mt-10 -59.09 -35.59 73.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.63 HD13 ' N ' ' A' ' 122' ' ' ILE . 2.0 mm -75.76 -37.29 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.58 ' CE1' ' HG3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -46.89 -19.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.679 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.482 ' N ' ' C ' ' A' ' 122' ' ' ILE . 22.2 mtpt -95.57 26.15 4.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.817 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -46.04 -95.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.705 ' H ' HD13 ' A' ' 125' ' ' LEU . 10.4 t30 -97.66 -20.1 17.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.198 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.817 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -90.25 138.79 31.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 31.1 m -119.44 117.31 33.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.58 ' HG3' ' CE1' ' A' ' 123' ' ' HIS . 18.1 Cg_endo -75.06 50.24 2.49 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' PRO . 18.5 p-10 -40.26 -29.88 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.436 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -111.85 105.13 13.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.558 ' O ' ' HB1' ' A' ' 140' ' ' ALA . 1.6 m-20 -129.7 123.17 30.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -161.89 124.11 2.9 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.622 1.201 . . . . 0.0 109.298 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.49 ' HB ' HD13 ' A' ' 135' ' ' ILE . 72.2 t -115.18 -59.47 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.49 HD13 ' HB ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -105.63 -14.75 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.41 24.02 52.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -105.79 174.17 6.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.645 ' O ' HG23 ' A' ' 138' ' ' VAL . 14.3 m -65.8 100.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.68 -47.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' A' ' 132' ' ' ASP . . . -90.28 164.9 14.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.66 84.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -164.42 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -54.67 -25.04 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.633 HD11 ' OD1' ' A' ' 35' ' ' ASN . 4.3 mm -57.37 -38.17 61.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -1.63 40.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -124.03 106.37 10.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -118.81 139.56 51.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.748 HD13 ' H ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -62.97 178.09 0.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.748 ' H ' HD13 ' A' ' 8' ' ' LEU . 46.7 m -48.07 -97.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 12' ' ' PHE . 77.9 m-20 -121.87 -39.05 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.496 ' CG ' ' HB ' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -32.96 -37.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.44 1.088 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.918 ' CE2' HD21 ' A' ' 55' ' ' LEU . 13.0 m-85 -115.11 -66.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.41 1.069 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.506 ' HA2' ' SD ' ' A' ' 16' ' ' MET . . . -43.67 -35.97 3.26 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -80.79 -41.51 23.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 0.73 . . . . 0.0 109.372 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -57.28 -48.45 78.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.529 ' HE3' ' O ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.96 -37.17 69.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.21 -44.36 84.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' NE2' ' HD3' ' A' ' 14' ' ' LYS . 14.3 mt-30 -71.18 -33.56 70.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.765 ' SG ' HD12 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -65.7 -35.59 81.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 108.189 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -64.99 -7.31 11.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.69 -68.55 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.516 ' HG2' ' HA ' ' A' ' 19' ' ' CYS . 2.3 pt-20 -50.27 -44.44 53.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.765 HD12 ' SG ' ' A' ' 19' ' ' CYS . 58.7 mt -98.24 -9.94 24.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.549 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 49.09 18.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -81.81 168.71 22.27 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.978 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.5 Cg_endo -74.93 119.89 5.86 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 52.9 p-10 -67.76 -1.15 4.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.224 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 26' ' ' PRO . 33.7 p -81.66 -39.16 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.978 HG22 ' O ' ' A' ' 26' ' ' PRO . 34.7 m -61.69 -36.66 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.421 ' HA ' ' CZ3' ' A' ' 37' ' ' TRP . 12.0 p -77.6 -31.19 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.185 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.582 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -68.03 -17.56 64.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -78.97 -19.69 51.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.374 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.841 HD22 ' O ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -56.65 -52.53 64.55 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.45 1.094 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.66 -23.68 67.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.633 ' OD1' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -77.9 -76.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.177 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 40.8 p90 173.91 66.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.728 ' NE1' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -90.5 8.42 33.99 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -58.37 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -68.34 -34.36 75.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 37' ' ' TRP . 11.3 t0 -77.31 94.03 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.558 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 53.3 t80 -102.04 173.74 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.801 HG13 ' CA ' ' A' ' 46' ' ' ARG . 49.0 t -39.33 -29.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.544 1.153 . . . . 0.0 109.231 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' TYR . 2.2 tpp -38.48 -28.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -105.91 -57.11 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.659 ' OD2' HD23 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -138.8 106.06 5.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.801 ' CA ' HG13 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -59.56 -33.86 71.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.823 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -46.84 -43.98 19.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HB1' ' CZ3' ' A' ' 37' ' ' TRP . . . -55.9 -33.0 64.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.569 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -81.48 -30.54 36.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.79 -43.03 26.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.04 -46.93 75.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.537 HG22 ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -59.84 -42.16 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.05 -43.51 91.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.61 ' O ' HG22 ' A' ' 57' ' ' THR . 0.5 OUTLIER -67.87 -28.65 67.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.918 HD21 ' CE2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -52.96 -34.97 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.32 -12.93 61.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.198 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.72 -58.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.761 ' O ' HG22 ' A' ' 61' ' ' VAL . 8.9 mmtt -111.51 101.89 10.27 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.473 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -71.9 -19.6 61.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -34.84 79.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 58' ' ' LYS . 27.2 m -84.18 -37.76 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.79 -43.26 80.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 2.2 p-10 -131.34 106.12 14.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 109.226 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.579 1.831 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.59 3.89 19.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.457 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.33 44.15 2.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -50.64 -37.57 41.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 0.795 . . . . 0.0 109.249 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.023 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.43 -174.4 0.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.527 ' N ' HD13 ' A' ' 68' ' ' LEU . 11.7 m-70 -146.45 116.49 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.539 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -41.43 140.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.587 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.84 -45.5 3.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 111.065 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.429 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 2.1 t30 -127.57 81.18 2.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 0.75 . . . . 0.0 109.246 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.46 127.63 32.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.392 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 76' ' ' PHE . 7.8 mttm -60.69 172.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.54 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 66.4 m-20 -70.41 1.68 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 109.23 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' H ' ' C ' ' A' ' 74' ' ' LYS . 18.9 m-85 -88.59 -45.64 9.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -64.29 -58.86 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.54 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -77.48 41.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 111.048 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.477 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 11.7 tttt -152.81 -51.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -68.29 -6.2 22.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 0.0 109.569 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -152.72 23.86 0.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.825 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.43 134.46 46.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.562 ' O ' ' CG ' ' A' ' 86' ' ' MET . 7.6 m-20 -78.99 147.71 32.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -41.77 -31.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.413 ' OG1' ' HG3' ' A' ' 89' ' ' GLN . 1.3 t -64.27 -37.84 88.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.364 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.825 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -52.64 -29.21 25.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.474 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -52.92 -51.7 60.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.4 ' O ' ' OD1' ' A' ' 92' ' ' ASP . 0.4 OUTLIER -94.12 -45.47 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.241 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.5 mt-30 -44.75 -63.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.782 ' O ' HD13 ' A' ' 93' ' ' ILE . 33.5 mt -48.57 -44.69 36.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.598 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.1 t -55.28 -20.07 6.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 7.3 m-20 -71.56 -69.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.782 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.32 -46.89 91.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.638 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -53.48 -25.99 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.598 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.5 m170 -76.15 -31.14 58.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.657 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.432 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.13 -23.59 37.37 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.5 -62.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -45.08 -35.66 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.1 OUTLIER -72.3 -30.61 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.97 -7.13 37.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.924 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.53 84.26 11.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.57 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -75.08 176.29 10.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.428 1.751 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.06 47.25 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -63.8 141.5 58.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' A' ' 107' ' ' LYS . 7.3 m-20 -56.25 -18.49 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.4 OUTLIER -81.4 32.13 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 25.7 pttt -41.46 -25.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.4 1.062 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.49 ' N ' ' C ' ' A' ' 106' ' ' ASP . 25.5 t -60.09 -51.39 69.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -103.31 -4.73 23.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.57 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.5 -70.63 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.2 m -51.98 -43.21 63.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.742 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.6 -43.36 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.417 ' CG ' ' OH ' ' A' ' 41' ' ' TYR . 3.8 t0 -45.84 -54.03 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.388 1.055 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.56 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -71.72 -50.07 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.22 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -51.02 -20.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.478 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.52 -35.97 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.7 t -41.95 -50.06 4.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.522 1.139 . . . . 0.0 108.311 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.2 OUTLIER -65.75 -46.13 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -59.93 -30.19 68.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.5 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.6 OUTLIER -61.47 -28.65 69.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.462 ' CD ' HG21 ' A' ' 93' ' ' ILE . 10.2 mm-40 -58.29 -28.64 65.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.238 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.674 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.6 mm -77.42 -37.56 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -47.12 -20.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.636 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.529 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -97.79 28.26 3.97 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.771 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -45.5 -103.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.509 ' H ' HD13 ' A' ' 125' ' ' LEU . 38.6 m-80 -101.33 -30.54 11.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.729 ' H ' HD13 ' A' ' 125' ' ' LEU . 8.8 p-90 -107.68 139.55 42.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.0 m -115.93 113.31 42.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 49.94 2.4 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.448 1.762 . . . . 0.0 110.987 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -40.98 -32.66 0.25 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.86 106.69 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.572 ' O ' HG23 ' A' ' 134' ' ' VAL . 0.8 OUTLIER -114.01 124.34 51.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.812 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.8 126.08 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 132' ' ' ASP . 55.0 t -113.64 -51.95 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.434 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.494 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.09 -15.26 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.02 33.14 18.95 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.16 162.5 12.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 138' ' ' VAL . 16.4 m -65.55 101.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.376 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 179.4 -46.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -96.89 164.93 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.46 86.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.387 1.054 . . . . 0.0 109.339 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 5' ' ' MET . 92.7 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.551 1.816 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 5.7 mp0 -54.0 -25.0 18.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.538 HG23 ' HB1' ' A' ' 31' ' ' ALA . 4.2 mm -58.93 -37.75 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.447 ' CB ' ' HB2' ' A' ' 1' ' ' SER . 0.0 OUTLIER -83.03 -1.6 53.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 12.4 tttp -115.4 105.07 12.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.394 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -131.1 139.63 49.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.807 HD13 ' N ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -60.06 170.5 1.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.807 ' N ' HD13 ' A' ' 8' ' ' LEU . 59.7 m -46.85 -78.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.402 1.063 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' PHE . 39.1 m-80 -121.23 -38.84 2.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.427 1.079 . . . . 0.0 109.359 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.643 HD22 HG13 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -36.78 -33.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.474 ' CD1' HD21 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -115.64 -69.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.15 -34.03 1.41 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 1.6 tmmm? -81.19 -53.72 6.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.754 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.733 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -57.75 -42.99 85.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.512 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 30.0 mmt -64.48 -42.67 95.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.33 -47.52 56.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 10.2 mt-30 -64.27 -40.13 95.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.486 ' O ' HD12 ' A' ' 25' ' ' LEU . 8.1 m -59.71 -39.02 83.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 108.324 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -67.96 -5.32 16.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -112.03 -69.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -45.25 -44.38 11.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 50' ' ' CYS . 0.2 OUTLIER -98.74 -11.98 21.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 52.26 17.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.378 1.049 . . . . 0.0 110.065 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.96 167.3 28.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.758 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.6 Cg_endo -74.87 121.26 6.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.557 ' HA ' HG12 ' A' ' 30' ' ' VAL . 45.8 t0 -68.2 -0.89 5.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 26' ' ' PRO . 26.9 p -81.47 -41.97 20.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 26' ' ' PRO . 14.4 m -65.29 -36.45 77.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 27' ' ' ASP . 12.6 p -77.74 -32.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.538 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -68.47 -17.05 64.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.56 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 66.8 t0 -75.85 -32.39 59.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' N ' ' HE1' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -53.92 -28.05 34.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.361 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -73.44 -26.0 60.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.61 1.194 . . . . 0.0 110.992 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.577 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -70.3 -74.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CG ' ' C ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER 159.99 34.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.612 ' CZ3' ' CG ' ' A' ' 40' ' ' ASP . 1.2 p-90 -93.66 24.64 3.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 107.966 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 85.0 mttt -48.08 -40.82 24.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -49.47 -23.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.612 ' CG ' ' CZ3' ' A' ' 37' ' ' TRP . 10.3 t70 -89.02 93.27 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 120' ' ' LYS . 2.1 m-85 -87.83 175.64 7.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.909 HG22 ' HA ' ' A' ' 46' ' ' ARG . 25.1 t -40.12 -29.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.235 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -40.45 -25.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.958 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -112.48 -59.14 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -132.78 106.17 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.909 ' HA ' HG22 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -71.28 -33.77 70.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.817 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -47.75 -44.18 27.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -57.28 -32.2 66.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.29 -30.36 34.17 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.58 ' HB3' HD22 ' A' ' 23' ' ' LEU . 1.1 m -79.22 -43.83 23.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -59.44 -48.21 82.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -59.88 -40.12 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -42.7 99.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.628 ' O ' HG22 ' A' ' 57' ' ' THR . 0.0 OUTLIER -65.71 -18.35 65.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 108.35 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.733 HD22 ' CB ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -53.07 -34.92 58.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.24 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.863 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -74.9 -12.39 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.637 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -15.69 -58.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.438 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 1.108 ' O ' HG22 ' A' ' 61' ' ' VAL . 10.1 mmtt -109.12 105.58 15.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 56' ' ' ALA . 4.8 mt -72.27 -15.49 61.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -29.88 61.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.108 HG22 ' O ' ' A' ' 58' ' ' LYS . 24.5 m -76.08 -36.74 31.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.72 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -83.9 -46.38 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.375 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.474 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -125.8 110.08 25.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -41.12 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 3.19 20.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.59 44.42 2.31 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.413 ' H ' ' CB ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -50.93 -36.56 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.005 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -170.1 -174.3 1.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.48 ' N ' HD13 ' A' ' 68' ' ' LEU . 56.6 m-70 -146.04 114.13 6.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.569 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.533 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 9.7 t60 -37.95 142.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.33 -45.76 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 2.6 t30 -125.29 75.03 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.05 130.43 43.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 171.64 1.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 109.242 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.524 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 2.2 m-20 -69.75 -2.25 11.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.282 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -88.79 -46.07 9.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -63.18 -58.51 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.524 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -78.12 41.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.939 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.483 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 15.4 tptt -153.53 -53.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.379 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -5.77 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -159.54 36.36 0.47 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.529 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.75 130.51 43.85 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.578 0.811 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -69.95 140.41 53.01 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.446 1.091 . . . . 0.0 109.373 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -44.78 -33.18 1.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.3 t -77.83 -44.18 28.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.435 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.675 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.63 -26.13 55.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.439 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -63.72 -49.07 74.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.21 -47.31 9.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.553 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 24.2 mm100 -42.8 -55.57 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.675 HD22 ' SD ' ' A' ' 86' ' ' MET . 7.4 mp -46.48 -47.26 19.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.562 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.0 t -53.96 -15.44 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.483 1.115 . . . . 0.0 109.375 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -78.15 -71.03 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.638 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.13 -47.28 85.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.596 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.0 -24.02 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -75.65 -31.34 59.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.577 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.77 -23.69 35.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.572 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.7 OUTLIER -89.0 -63.88 1.23 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 4.7 tt0 -45.28 -33.1 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 12.2 pttt -73.99 -31.45 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.56 -8.82 34.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.621 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -117.5 79.95 12.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.425 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.97 173.2 14.91 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 43.2 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' A' ' 102' ' ' PRO . 6.2 t-20 -62.02 147.99 45.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.421 ' C ' ' H ' ' A' ' 107' ' ' LYS . 10.7 p-10 -53.09 -26.15 15.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 109' ' ' MET . 17.4 m-20 -83.55 29.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 105' ' ' ASP . 2.7 pttt -40.2 -29.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 106' ' ' ASP . 7.7 t -51.82 -47.24 64.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 108.3 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 106' ' ' ASP . 12.0 ttt -101.77 -7.56 22.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -90.2 -79.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.7 m -43.26 -42.91 4.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.741 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -45.91 -45.81 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.591 1.182 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.52 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 4.4 t0 -42.44 -50.97 5.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.621 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.77 -58.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.02 -22.61 0.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 120' ' ' LYS . 38.0 ttp -101.34 -35.77 9.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.606 1.192 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 0.8 OUTLIER -47.73 -45.78 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.3 OUTLIER -63.86 -51.26 65.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -62.88 -30.32 71.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -61.39 -26.3 67.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.575 ' OE2' HD11 ' A' ' 93' ' ' ILE . 43.9 mt-10 -56.66 -36.62 69.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 110.362 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.649 HD13 ' N ' ' A' ' 122' ' ' ILE . 2.2 mm -64.72 -36.21 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -46.28 -21.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 0.0 109.536 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.54 ' O ' ' O ' ' A' ' 125' ' ' LEU . 1.9 ptmt -97.88 28.84 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.753 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -45.46 -102.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.524 ' H ' HD13 ' A' ' 125' ' ' LEU . 9.8 t30 -103.2 -30.04 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.738 ' H ' HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -107.37 136.46 47.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 107.994 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.1 m -121.42 89.41 47.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 49.47 2.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -47.78 -29.32 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.2 mtt -123.87 102.57 7.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.443 1.09 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.553 ' O ' HG13 ' A' ' 134' ' ' VAL . 18.9 t70 -130.37 98.05 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.603 1.189 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.821 HD23 ' HA2' ' A' ' 136' ' ' GLY . 0.0 OUTLIER -62.63 111.61 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 132' ' ' ASP . 26.1 m -116.22 -11.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.483 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.29 -20.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.258 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.821 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 82.63 32.4 27.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.31 169.49 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.618 ' O ' HG23 ' A' ' 138' ' ' VAL . 12.9 m -75.65 103.38 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -175.18 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.481 ' HB3' ' CA ' ' A' ' 133' ' ' LEU . . . -110.89 165.1 12.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -70.89 92.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.621 HG23 ' HG ' ' A' ' 133' ' ' LEU . 10.4 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -163.47 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.543 1.812 . . . . 0.0 110.969 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.575 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 7.8 mm-40 -54.38 -25.32 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.373 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.2 mm -57.95 -39.0 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -2.69 24.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 111.061 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -125.63 106.45 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -119.0 139.06 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.583 HD11 ' N ' ' A' ' 12' ' ' PHE . 2.2 pp -69.72 -166.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.476 ' O ' ' O ' ' A' ' 8' ' ' LEU . 25.1 m -47.78 -101.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' A' ' 12' ' ' PHE . 13.1 m-20 -124.22 -33.8 3.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.547 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -29.79 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.616 ' N ' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -110.57 -65.77 1.13 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.973 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.85 -38.82 4.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -73.87 -54.93 6.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 0.805 . . . . 0.0 109.352 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.767 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -55.96 -35.77 67.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.64 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -69.85 -48.96 56.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -67.37 -38.74 85.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 16.1 mt-30 -71.13 -42.09 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.373 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.526 ' O ' HD12 ' A' ' 25' ' ' LEU . 16.8 m -61.85 -37.76 85.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.604 1.19 . . . . 0.0 108.345 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -67.28 -5.62 14.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -112.28 -69.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -47.56 -43.68 25.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.17 . . . . 0.0 110.347 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.519 ' HB2' HD12 ' A' ' 25' ' ' LEU . 3.2 mt -98.83 -11.52 21.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.555 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.55 17.8 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.935 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.699 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.08 168.51 22.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.754 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.1 Cg_endo -75.04 119.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.392 1.733 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.585 ' HA ' HG12 ' A' ' 30' ' ' VAL . 48.0 p-10 -67.06 -1.57 4.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.427 ' H ' ' C ' ' A' ' 26' ' ' PRO . 24.2 p -81.29 -42.26 20.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 26' ' ' PRO . 12.2 m -65.32 -36.86 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 27' ' ' ASP . 11.9 p -77.68 -33.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 109.25 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 27' ' ' ASP . . . -69.88 -18.18 63.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 51.2 t0 -74.75 -31.1 61.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.195 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.619 HD12 ' NE1' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -51.77 -38.68 56.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 3' ' ' GLU . 1.6 t80 -73.12 -21.49 60.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 1.6 t30 -69.74 -73.3 0.16 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 159.61 31.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.619 ' NE1' HD12 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -94.76 25.43 4.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 108.004 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 40' ' ' ASP . 2.9 mptt -47.02 -47.71 22.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.543 ' OD1' ' CE1' ' A' ' 123' ' ' HIS . 8.6 t70 -48.66 -24.58 1.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.615 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 10.4 t70 -83.13 90.29 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 55.6 t80 -88.56 174.41 8.09 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.559 ' N ' ' CG ' ' A' ' 41' ' ' TYR . 46.5 t -38.39 -30.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' TYR . 7.9 ptt? -42.42 -24.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.55 -57.95 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' OD2' HG21 ' A' ' 29' ' ' VAL . 2.0 t70 -129.61 117.34 20.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLY . 1.8 ttt180 -78.58 -39.93 36.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.645 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -46.66 -43.11 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.26 -32.58 56.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.38 1.05 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.509 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -79.48 -30.99 42.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.135 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.94 -46.05 17.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.481 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -54.73 -47.26 74.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.466 HG22 ' C ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -59.68 -38.82 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' HA ' ' NE2' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -59.61 -47.0 87.3 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.595 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -64.24 -25.73 68.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 108.246 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.767 HD22 ' CB ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -53.19 -34.45 57.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.626 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.39 -12.54 61.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.626 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -17.58 -59.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.405 1.065 . . . . 0.0 110.424 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.645 ' O ' HG22 ' A' ' 61' ' ' VAL . 11.5 mmtt -111.36 96.12 5.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.688 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -64.13 -15.63 60.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 0.0 109.23 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -69.89 -22.8 63.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.3 m -82.32 -41.1 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.688 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.59 -45.56 21.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.417 ' HB2' ' N ' ' A' ' 67' ' ' ASN . 4.6 p30 -122.71 103.43 37.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 -42.06 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.82 1.71 16.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.83 39.52 2.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.586 1.178 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.417 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 53.1 t30 -52.84 -37.86 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.002 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -166.37 -175.95 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.498 ' N ' HD13 ' A' ' 68' ' ' LEU . 7.8 m-70 -146.83 118.91 8.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.54 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.557 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 10.2 t60 -42.32 140.91 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.539 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.16 -45.3 3.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 3.1 t30 -125.84 73.5 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.617 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -60.77 131.25 50.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 76' ' ' PHE . 1.3 mttt -60.64 170.76 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.59 ' HA ' ' HE1' ' A' ' 78' ' ' MET . 99.3 m-20 -72.66 5.49 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.439 ' H ' ' C ' ' A' ' 74' ' ' LYS . 2.0 t80 -105.56 -29.31 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -64.24 -78.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.806 ' HE2' ' HB2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -74.34 42.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.035 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.806 ' HB2' ' HE2' ' A' ' 78' ' ' MET . 0.6 OUTLIER -145.27 -50.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -6.42 14.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.66 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.93 23.22 2.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB1' ' CB ' ' A' ' 86' ' ' MET . . . -132.62 160.14 37.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -87.63 148.28 24.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -43.12 -27.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.36 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.512 HG22 ' HB2' ' A' ' 83' ' ' ASP . 4.7 t -69.39 -39.45 77.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.562 ' HE3' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -47.58 -37.45 12.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.452 ' N ' ' SD ' ' A' ' 86' ' ' MET . . . -52.26 -48.45 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.85 -52.07 5.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 51.9 mm-40 -41.01 -62.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.859 HD21 ' CE1' ' A' ' 118' ' ' PHE . 4.7 mp -49.3 -45.6 45.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -55.43 -17.26 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 109.389 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 30.7 t0 -75.41 -68.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.685 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.15 -47.13 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.646 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.71 -25.47 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.586 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -75.95 -31.99 59.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.512 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.444 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -90.03 -23.89 31.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.368 1.042 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -89.74 -62.49 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.5 tt0 -44.88 -34.94 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -72.15 -30.89 65.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.55 -8.45 31.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.027 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.592 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -117.25 80.76 12.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 104' ' ' ASN . 17.9 Cg_endo -75.2 171.37 18.42 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 43.2 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 110.969 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.445 ' CB ' ' HG2' ' A' ' 110' ' ' LYS . 6.7 t-20 -62.15 150.17 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 107' ' ' LYS . 24.0 m-20 -55.18 -21.68 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -83.66 30.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 105' ' ' ASP . 0.5 OUTLIER -39.72 -29.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.465 ' N ' ' C ' ' A' ' 106' ' ' ASP . 2.8 t -51.16 -49.53 60.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 108.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.476 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 5.7 ttt -103.53 -4.95 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.445 ' HG2' ' CB ' ' A' ' 104' ' ' ASN . 0.4 OUTLIER -88.65 -75.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.383 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.6 m -50.77 -44.91 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.711 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.58 -45.74 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.408 1.067 . . . . 0.0 109.264 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.418 ' CG ' ' OH ' ' A' ' 41' ' ' TYR . 2.2 t0 -42.08 -48.32 4.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.592 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -76.98 -50.1 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 109.227 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.48 -21.17 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.598 ' SD ' HD11 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -103.81 -35.29 8.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.92 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 1.2 t -48.57 -51.19 28.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 108.237 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.859 ' CE1' HD21 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -65.31 -37.05 85.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -68.09 -30.56 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.453 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -62.73 -31.34 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.375 1.047 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.682 ' CD ' HG21 ' A' ' 93' ' ' ILE . 23.5 mm-40 -58.93 -28.89 66.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.252 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.651 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.6 mm -78.55 -37.81 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.543 ' CE1' ' OD1' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -46.86 -20.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.669 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.467 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 1.6 mtmp? -96.87 27.67 3.87 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.939 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -44.93 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.652 ' H ' HD13 ' A' ' 125' ' ' LEU . 9.7 t-20 -106.15 -3.19 21.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.939 ' CD2' HD11 ' A' ' 125' ' ' LEU . 1.4 m0 -88.82 154.19 20.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.046 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 128' ' ' VAL . 6.3 p -97.85 118.11 64.35 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.467 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.1 Cg_endo -75.04 51.08 2.71 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.489 1.783 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -42.86 -26.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.433 ' N ' ' C ' ' A' ' 129' ' ' PRO . 4.8 ttp -93.09 101.55 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 133' ' ' LEU . 6.0 p-10 -128.17 126.31 40.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.848 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -31.97 120.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.385 1.053 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 132' ' ' ASP . 0.3 OUTLIER -115.65 8.51 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.408 1.068 . . . . 0.0 109.359 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.546 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -97.05 -11.42 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.78 32.55 21.19 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.447 1.092 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.489 ' H ' HD23 ' A' ' 133' ' ' LEU . 5.2 tm-20 -103.71 134.46 46.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.544 ' O ' HG23 ' A' ' 138' ' ' VAL . 14.2 m -66.44 110.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.1 tp -176.57 -75.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.768 ' HB3' HD12 ' A' ' 133' ' ' LEU . . . -78.44 165.46 23.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.198 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.4 89.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.45 ' CA ' HD11 ' A' ' 133' ' ' LEU . 8.4 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -166.8 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.457 1.767 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -55.79 -25.84 43.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.77 HD12 ' HB1' ' A' ' 31' ' ' ALA . 6.8 mm -50.25 -37.8 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -19.5 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -111.32 104.87 13.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -120.28 138.53 53.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.552 HD11 ' HB2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -70.99 -169.36 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.241 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' LEU . 30.1 t -49.48 -101.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 12' ' ' PHE . 10.4 m-20 -124.54 -32.77 3.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.556 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -27.79 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 1.057 ' CE1' HD21 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -108.07 -63.94 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.39 -37.87 3.66 Favored Glycine 0 CA--C 1.532 1.123 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -74.48 -53.16 10.07 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.578 0.811 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.612 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -56.5 -37.05 69.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 109.263 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.721 ' CE ' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -69.41 -47.85 62.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.63 -41.93 87.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 109.247 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.2 mt-30 -69.03 -41.26 77.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 110.217 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' O ' HD12 ' A' ' 25' ' ' LEU . 10.0 m -61.82 -36.86 82.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 108.33 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.548 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -67.47 -5.89 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.24 -69.13 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -46.53 -43.75 17.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.507 ' HB2' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -99.06 -11.82 21.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.0 m 52.35 16.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.717 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.34 168.22 23.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.947 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -74.94 121.91 6.9 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 33.3 p-10 -68.61 -1.97 7.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 p -81.7 -39.58 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.947 HG22 ' O ' ' A' ' 26' ' ' PRO . 29.3 m -63.98 -36.51 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.53 HG11 ' HG3' ' A' ' 16' ' ' MET . 8.8 p -77.88 -33.3 18.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.77 ' HB1' HD12 ' A' ' 4' ' ' ILE . . . -71.93 -17.86 62.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.564 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 50.0 t0 -76.52 -29.75 56.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 33' ' ' LEU . 10.5 mt -50.81 -42.77 58.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -20.4 60.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.552 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -67.18 -73.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER 159.8 29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.564 ' CG ' ' CG ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -95.57 27.25 3.5 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 14.7 mttm -44.69 -56.69 4.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 1.177 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.499 ' HA ' ' CG ' ' A' ' 123' ' ' HIS . 0.7 OUTLIER -47.23 -25.38 0.92 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.381 1.051 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.525 ' OD1' ' CZ3' ' A' ' 37' ' ' TRP . 13.5 t0 -98.74 53.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 38' ' ' LYS . 5.1 m-85 -80.37 -170.39 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.943 HG23 ' HA ' ' A' ' 46' ' ' ARG . 2.4 p -33.93 -35.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.1 ttm -43.6 -24.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.403 1.065 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -118.76 -49.14 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -124.24 98.65 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.943 ' HA ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -58.76 -40.27 83.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.65 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.05 -43.18 19.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.226 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.37 -33.01 65.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -80.97 -28.66 44.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.57 -44.65 20.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.455 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -58.39 -47.06 85.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -60.79 -39.17 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.359 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.04 -45.65 90.22 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.577 ' O ' HG22 ' A' ' 57' ' ' THR . 0.0 OUTLIER -68.37 -26.62 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 108.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.057 HD21 ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -52.64 -35.05 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -70.6 -13.07 61.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.71 -58.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.743 ' O ' HG22 ' A' ' 61' ' ' VAL . 17.0 mmtt -111.39 102.76 11.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.659 HD23 ' CD2' ' A' ' 69' ' ' HIS . 1.1 mp -72.33 -17.75 61.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.66 -32.71 74.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 58' ' ' LYS . 23.6 m -85.92 -38.21 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.439 HG12 ' OD1' ' A' ' 63' ' ' ASP . 1.4 t -72.0 -42.04 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.473 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -133.4 108.19 12.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -42.24 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -111.42 3.6 18.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.473 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.96 46.9 1.83 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -52.53 -36.93 56.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 109.389 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.017 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -173.05 -175.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.659 ' CD2' HD23 ' A' ' 59' ' ' LEU . 28.4 m80 -146.76 117.33 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.65 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.496 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 15.6 p-80 -39.28 140.92 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.476 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.88 -45.16 3.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.427 1.08 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -128.24 81.93 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.85 131.27 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -60.55 170.76 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.387 1.054 . . . . 0.0 109.225 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.502 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 12.2 m-20 -71.68 2.25 5.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 109.364 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.417 ' H ' ' C ' ' A' ' 74' ' ' LYS . 1.3 m-85 -90.06 -45.9 8.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.075 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.57 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -60.74 -58.74 7.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.215 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.502 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -80.26 41.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.951 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.481 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 4.4 tptp -155.35 -48.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 1.8 p-80 -64.81 -6.94 9.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -152.49 22.11 0.83 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.781 ' HB1' ' HG3' ' A' ' 86' ' ' MET . . . -134.01 138.46 45.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.447 ' N ' ' HB3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -69.32 151.02 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -43.86 -34.35 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 t -80.49 -42.72 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.41 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.781 ' HG3' ' HB1' ' A' ' 82' ' ' ALA . 9.1 tpp -53.86 -43.27 69.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.86 -47.65 64.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -38.95 64.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.234 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 9.7 mt-30 -49.78 -53.07 27.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.762 ' O ' HD13 ' A' ' 93' ' ' ILE . 12.8 mt -47.52 -48.09 27.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.493 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 3.5 t -53.63 -18.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 2.1 m-20 -74.88 -68.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.762 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.84 -46.97 87.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.707 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -51.99 -24.96 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.381 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.52 -29.73 56.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.553 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.85 -24.91 31.12 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 100' ' ' SER . 8.8 m -90.54 -61.66 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 3.1 tt0 -45.83 -32.86 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.57 -30.68 61.81 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.408 1.067 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.562 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.65 -7.43 40.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 109.99 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.91 80.7 9.1 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.04 171.54 18.12 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 43.14 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.008 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.457 ' CB ' ' HG2' ' A' ' 110' ' ' LYS . 10.6 t-20 -62.03 150.44 38.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.623 1.202 . . . . 0.0 109.37 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 107' ' ' LYS . 77.3 m-20 -52.29 -25.16 8.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -84.36 28.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -40.31 -29.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.451 ' N ' ' C ' ' A' ' 106' ' ' ASP . 4.7 t -54.43 -49.91 68.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 106' ' ' ASP . 6.2 ptm -102.95 -4.3 24.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.457 ' HG2' ' CB ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -89.23 -79.29 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 114' ' ' VAL . 5.6 m -48.88 -44.79 40.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 110.441 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.697 ' HA ' ' HB3' ' A' ' 115' ' ' ALA . 0.1 OUTLIER -48.04 -47.64 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 1.7 t0 -38.91 -56.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.506 ' HA ' ' HB2' ' A' ' 117' ' ' CYS . 1.5 p -77.96 -47.7 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.697 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -46.71 -25.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.346 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.634 ' SD ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -99.59 -31.03 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.989 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.506 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 7.2 t -40.43 -49.09 2.84 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.153 . . . . 0.0 108.277 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -67.22 -44.22 80.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -59.06 -30.42 68.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.465 ' HG3' ' CD2' ' A' ' 41' ' ' TYR . 13.1 mttt -65.26 -27.08 68.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -57.21 -34.11 68.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.766 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.3 mm -67.7 -39.88 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.499 ' CG ' ' HA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -50.03 -16.3 0.28 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 0.0 109.58 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.492 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -95.85 24.16 5.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.863 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.82 -95.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.623 ' H ' HD13 ' A' ' 125' ' ' LEU . 8.0 m120 -108.83 -4.53 16.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.572 1.17 . . . . 0.0 109.378 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.863 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -92.06 157.41 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 128' ' ' VAL . 22.0 m -100.48 117.72 62.38 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.492 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.1 Cg_endo -75.08 51.34 2.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.6 p30 -39.51 -30.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.455 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -101.34 100.76 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.473 ' HB2' ' CA ' ' A' ' 141' ' ' GLU . 0.4 OUTLIER -126.44 96.18 4.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.893 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -176.19 105.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.504 HG22 HD13 ' A' ' 135' ' ' ILE . 11.6 m -116.31 -14.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.504 HD13 HG22 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -107.41 -20.79 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.91 23.11 75.94 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.4 174.73 9.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 0.779 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 138' ' ' VAL . 16.1 m -65.38 102.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.5 -64.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.36 167.22 22.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.473 ' CA ' ' HB2' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -73.63 85.16 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -163.06 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.419 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 3.9 mt-10 -54.74 -25.53 28.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.257 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.968 HG23 ' HB1' ' A' ' 31' ' ' ALA . 4.6 mm -56.64 -36.68 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.19 0.33 56.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -121.8 105.1 10.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -123.57 146.91 47.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.915 HD22 ' HB3' ' A' ' 11' ' ' ASN . 1.4 tt -62.0 -179.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.586 ' N ' HD23 ' A' ' 8' ' ' LEU . 40.7 m -49.3 -92.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.516 ' CB ' ' HB2' ' A' ' 14' ' ' LYS . 32.7 m-20 -120.89 -35.77 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.915 ' HB3' HD22 ' A' ' 8' ' ' LEU . 3.7 t30 -38.32 -30.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.705 ' HE1' HD21 ' A' ' 55' ' ' LEU . 4.5 m-30 -113.69 -71.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.35 -34.84 3.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.138 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 15.4 ttpt -78.68 -53.79 6.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . -55.79 -44.32 77.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.43 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 30.7 mmt -67.38 -38.93 85.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.07 -35.39 74.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.506 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 9.6 mt-30 -61.47 -45.11 95.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.578 ' HB2' HD11 ' A' ' 25' ' ' LEU . 5.2 m -58.58 -43.45 89.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 108.312 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' CD ' ' HB3' ' A' ' 27' ' ' ASP . 0.5 OUTLIER -56.1 -13.92 2.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -110.45 -71.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.553 ' HG3' HD23 ' A' ' 23' ' ' LEU . 5.0 pt-20 -57.65 -34.52 69.44 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.582 1.177 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 22' ' ' GLU . 3.9 mm? -98.42 -12.63 21.19 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.431 1.082 . . . . 0.0 109.386 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER 46.0 20.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.594 1.184 . . . . 0.0 110.03 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.655 HD21 HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.64 166.73 21.34 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.761 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -75.05 122.78 7.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' HB3' ' CD ' ' A' ' 20' ' ' LYS . 20.1 p-10 -68.45 1.1 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 26' ' ' PRO . 14.3 p -83.51 -40.94 18.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 26' ' ' PRO . 15.6 m -65.4 -37.9 81.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.655 HG13 HD21 ' A' ' 25' ' ' LEU . 34.1 m -70.11 -30.49 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.968 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -68.06 -23.35 64.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -63.56 -32.51 74.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.23 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.594 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -50.73 -47.09 59.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.484 ' OH ' ' CD2' ' A' ' 12' ' ' PHE . 81.2 m-85 -58.94 -24.19 62.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 1.4 t-20 -77.47 -73.21 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER 158.62 42.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.658 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.92 19.65 6.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 107.935 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.681 ' HB3' ' CD2' ' A' ' 123' ' ' HIS . 1.5 mttt -46.91 -59.5 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.491 ' CA ' ' HB3' ' A' ' 123' ' ' HIS . 6.9 t70 -48.05 -26.47 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.259 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.588 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 3.4 t70 -69.66 88.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.49 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 3.8 m-85 -72.85 162.04 29.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.465 ' CB ' ' HA ' ' A' ' 46' ' ' ARG . 32.6 m -40.72 -29.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.48 ' HB3' HD13 ' A' ' 139' ' ' LEU . 4.2 ptt? -41.15 -26.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -113.13 -50.18 2.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -133.91 91.39 2.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' GLY . 3.6 ttm-85 -71.54 -38.98 70.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.645 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -48.94 -43.86 40.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' HB1' ' CZ2' ' A' ' 37' ' ' TRP . . . -58.92 -26.25 64.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.5 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.1 -29.52 37.43 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -87.92 -38.92 15.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.518 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . . . -63.5 -48.72 76.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.464 HD13 HD12 ' A' ' 33' ' ' LEU . 1.9 tp -48.64 -36.75 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.08 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 50' ' ' CYS . 0.5 OUTLIER -55.48 -38.88 69.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.717 ' O ' HG22 ' A' ' 57' ' ' THR . 3.3 m -54.89 -29.78 56.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.705 HD21 ' HE1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -52.2 -32.34 35.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.254 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.608 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.47 -17.14 60.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.8 OUTLIER -19.54 -61.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.752 ' O ' HG22 ' A' ' 61' ' ' VAL . 6.9 mmtt -114.75 104.86 12.38 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.423 1.077 . . . . 0.0 109.236 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.575 HD23 ' CD2' ' A' ' 69' ' ' HIS . 1.2 mp -70.65 -20.37 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 109.345 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -35.04 79.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 58' ' ' LYS . 27.4 m -84.97 -37.88 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.38 1.05 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -45.21 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 2.7 p30 -127.1 103.92 22.99 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 -42.67 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.628 1.857 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.1 4.26 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.42 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.75 43.18 2.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 111.04 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.12 -39.52 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.027 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.42 -174.28 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 0.0 109.354 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.575 ' CD2' HD23 ' A' ' 59' ' ' LEU . 48.4 m80 -146.12 117.37 7.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.652 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -42.1 139.37 1.37 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 109.589 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.467 ' HA2' ' CG2' ' A' ' 111' ' ' THR . . . 79.8 -46.21 3.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.431 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 2.1 t30 -126.33 83.46 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -64.55 130.6 44.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -60.43 169.39 1.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 1.0 OUTLIER -72.62 5.86 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.436 ' H ' ' C ' ' A' ' 74' ' ' LYS . 31.7 m-85 -105.05 -29.12 10.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.775 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -65.78 -77.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.637 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.24 42.97 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 111.0 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 77' ' ' ALA . 4.8 tmtt? -143.64 -55.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.38 -6.42 18.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.64 43.31 0.69 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.43 1.081 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 1.008 ' HB1' ' HG2' ' A' ' 86' ' ' MET . . . -130.56 154.67 47.59 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 0.798 . . . . 0.0 109.386 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -96.35 143.99 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.22 -31.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' ' 83' ' ' ASP . 6.0 t -74.35 -42.32 59.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.368 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . 1.008 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.74 -23.59 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -59.47 -53.28 59.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.68 -44.44 9.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.216 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 92' ' ' ASP . 65.8 mm-40 -42.93 -59.24 2.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.456 1.097 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.926 HD21 ' CD1' ' A' ' 118' ' ' PHE . 8.4 mp -45.49 -45.79 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.546 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.4 t -52.58 -16.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 89' ' ' GLN . 6.4 m-20 -77.55 -69.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.41 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.666 HD13 ' H ' ' A' ' 94' ' ' ILE . 0.2 OUTLIER -67.08 -47.22 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.666 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -51.64 -24.45 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.602 1.189 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.37 -32.29 58.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.551 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.24 -23.13 35.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -87.41 -64.18 1.19 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.56 -35.54 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.426 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 19.1 pttt -72.0 -31.08 65.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.5 -7.13 38.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.088 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.589 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -116.03 82.98 11.66 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.53 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.95 175.37 11.31 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.515 1.797 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 45.12 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.477 1.777 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.404 ' H ' ' C ' ' A' ' 102' ' ' PRO . 0.6 OUTLIER -62.29 143.84 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 107' ' ' LYS . 21.5 m-20 -55.88 -20.71 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 109' ' ' MET . 1.0 OUTLIER -82.28 30.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 111' ' ' THR . 5.9 pttt -40.67 -27.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' ASP . 10.3 t -62.04 -51.89 66.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.37 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.503 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -91.4 -12.14 35.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.53 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.8 OUTLIER -90.14 -67.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 12.9 m -40.93 -45.25 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.557 ' C ' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -47.44 -47.29 10.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.318 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 4.5 t0 -41.61 -53.82 3.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.589 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -80.48 -56.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.428 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -43.27 -23.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -102.78 -36.74 8.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 4.7 t -40.14 -54.14 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 108.351 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.926 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -66.67 -35.17 79.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.644 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -69.22 -36.03 76.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.4 OUTLIER -58.44 -31.05 67.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.426 ' OE2' ' CG ' ' A' ' 141' ' ' GLU . 8.5 mm-40 -60.43 -28.85 68.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.582 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.7 mm -82.3 -38.18 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.681 ' CD2' ' HB3' ' A' ' 38' ' ' LYS . 10.0 m170 -47.95 -19.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.567 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -96.97 27.06 4.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.356 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.801 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.37 -95.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.616 ' H ' HD13 ' A' ' 125' ' ' LEU . 11.6 t-20 -98.52 -3.71 35.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.712 ' CD2' HD11 ' A' ' 125' ' ' LEU . 1.7 m0 -90.03 153.76 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 107.997 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.2 m -108.96 117.32 54.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.463 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.3 Cg_endo -75.08 52.21 3.02 Favored 'Trans proline' 0 C--N 1.362 1.256 0 O-C-N 124.448 1.762 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 129' ' ' PRO . 5.3 t30 -39.92 -28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.244 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.463 ' N ' ' C ' ' A' ' 129' ' ' PRO . 4.3 tpp -93.2 101.17 13.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 133' ' ' LEU . 0.4 OUTLIER -122.89 127.19 48.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -34.4 114.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.242 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.461 ' H ' HD13 ' A' ' 135' ' ' ILE . 5.4 p -116.64 6.1 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.565 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -101.77 -5.05 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.235 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.38 29.13 28.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -113.34 134.85 54.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 110.341 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 16.7 m -73.52 122.45 26.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 43' ' ' MET . 0.2 OUTLIER -179.1 -41.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.787 ' HB3' ' H ' ' A' ' 133' ' ' LEU . . . -111.12 165.24 12.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.426 ' CG ' ' OE2' ' A' ' 121' ' ' GLU . 8.2 tm-20 -72.29 91.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.401 1.063 . . . . 0.0 110.306 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.494 ' C ' ' CD1' ' A' ' 133' ' ' LEU . 48.3 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.408 1.068 . . . . 0.0 109.257 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -165.3 0.28 Allowed 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.406 1.74 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 1.3 mm-40 -54.91 -25.54 29.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 4' ' ' ILE . 5.1 mm -54.6 -38.66 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.22 1.99 42.02 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 111.09 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.595 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -109.35 106.12 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.231 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -130.81 139.56 50.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.019 HD22 ' HB3' ' A' ' 11' ' ' ASN . 1.5 tt -62.25 177.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.625 ' N ' HD23 ' A' ' 8' ' ' LEU . 30.0 t -49.48 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 12' ' ' PHE . 3.9 m-20 -120.78 -38.72 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 1.019 ' HB3' HD22 ' A' ' 8' ' ' LEU . 2.9 t30 -36.24 -32.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.941 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.2 t80 -113.59 -67.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.55 -33.9 3.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 1.3 tmmt? -79.24 -53.32 7.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.606 0.827 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 19' ' ' CYS . . . -58.94 -44.3 91.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.503 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 27.3 mmt -64.51 -38.33 90.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.22 -48.57 33.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 12.8 mt-30 -66.01 -39.68 90.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.523 ' HB3' HD12 ' A' ' 23' ' ' LEU . 29.5 m -61.2 -37.05 81.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 108.34 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 24' ' ' SER . 5.9 ttpt -66.58 -5.5 11.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -69.47 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.623 1.202 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.483 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -45.75 -45.42 14.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.225 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -97.82 -11.86 22.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 51.37 18.24 0.62 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.068 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.669 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -81.47 167.9 28.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.395 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.927 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.4 Cg_endo -74.95 118.57 5.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' HA ' ' CG2' ' A' ' 30' ' ' VAL . 49.2 p-10 -66.94 -2.16 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.224 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 26' ' ' PRO . 15.8 p -81.78 -40.0 23.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 26' ' ' PRO . 31.3 m -64.25 -36.86 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.191 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.78 ' HA ' HD13 ' A' ' 33' ' ' LEU . 3.0 m -80.26 -32.45 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 27' ' ' ASP . . . -68.79 -17.54 64.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.592 1.182 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -22.47 57.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.78 HD13 ' HA ' ' A' ' 30' ' ' VAL . 8.1 mp -49.94 -50.44 46.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -54.51 -20.54 7.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.433 ' C ' ' CD2' ' A' ' 36' ' ' PHE . 1.4 t-20 -85.99 -71.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CD2' ' C ' ' A' ' 35' ' ' ASN . 2.5 p90 -176.32 69.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.695 ' CZ2' ' CB ' ' A' ' 48' ' ' ALA . 12.0 t-105 -92.13 -3.21 55.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 108.073 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.8 -58.51 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.587 ' HB3' ' CD2' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -68.03 -32.22 72.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.387 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.64 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.9 t0 -68.21 100.95 1.09 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.463 ' C ' ' N ' ' A' ' 43' ' ' MET . 26.2 t80 -101.22 163.11 12.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.861 HG13 ' HA ' ' A' ' 46' ' ' ARG . 92.2 t -40.24 -28.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.463 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -43.73 -23.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.955 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.43 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -107.32 -55.98 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.527 ' OD2' HG21 ' A' ' 29' ' ' VAL . 1.4 t0 -136.72 115.63 12.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.861 ' HA ' HG13 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -77.11 -38.28 52.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.684 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.22 -43.55 21.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.695 ' CB ' ' CZ2' ' A' ' 37' ' ' TRP . . . -55.97 -32.35 63.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.527 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -81.19 -23.3 59.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.656 1.222 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -88.14 -43.95 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.605 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -63.78 -48.64 76.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 48' ' ' ALA . 0.8 OUTLIER -50.33 -47.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -42.34 78.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.637 ' O ' HG22 ' A' ' 57' ' ' THR . 0.5 OUTLIER -57.93 -29.29 65.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.941 HD11 ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -53.28 -33.11 51.82 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.618 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -74.76 -13.82 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.637 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -18.53 -59.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.592 ' O ' HG22 ' A' ' 61' ' ' VAL . 6.3 mttm -112.49 92.48 4.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.361 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.639 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -57.97 -16.16 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.77 -24.11 64.39 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.503 1.127 . . . . 0.0 109.38 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.4 m -80.06 -41.97 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.639 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.63 -45.65 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.8 p-10 -122.99 104.03 36.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -42.09 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.24 0.7 15.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.46 39.33 2.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.424 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 0.6 OUTLIER -53.51 -37.96 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 109.257 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.989 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -166.34 -174.97 3.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.514 ' N ' HD13 ' A' ' 68' ' ' LEU . 5.8 m-70 -146.01 120.37 9.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.52 ' CG ' ' CB ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -45.04 143.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.587 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.71 -45.27 2.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -127.69 75.83 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -64.15 129.67 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 76' ' ' PHE . 3.9 mtpt -61.38 171.13 1.51 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.505 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 70.0 m-20 -71.11 0.81 6.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.21 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.448 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 4.9 t80 -91.42 -40.53 11.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.584 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -63.52 -58.98 5.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.599 ' C ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -81.36 39.59 0.53 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 111.06 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.2 tmtp? -154.76 -53.23 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -65.67 -6.96 12.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.632 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.87 23.74 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.627 ' HB1' ' HG2' ' A' ' 86' ' ' MET . . . -131.59 160.15 36.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.683 ' H ' ' HE3' ' A' ' 86' ' ' MET . 1.8 m-20 -78.89 141.14 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -45.2 -34.46 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.439 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 10.7 t -80.47 -45.68 17.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.683 ' HE3' ' H ' ' A' ' 83' ' ' ASP . 1.8 ttp -54.09 -42.81 69.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -53.26 -47.12 69.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.458 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.5 OUTLIER -75.95 -47.36 25.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 92' ' ' ASP . 20.6 mm100 -44.06 -55.17 4.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.597 1.186 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.18 HD21 ' CE1' ' A' ' 118' ' ' PHE . 1.9 mp -46.16 -45.97 16.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.574 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 7.2 t -52.98 -16.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 89' ' ' GLN . 46.6 t0 -76.44 -69.2 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.678 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.33 -47.03 85.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.67 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -52.26 -24.68 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.218 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.6 m170 -77.02 -28.69 55.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -92.22 -25.6 21.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 100' ' ' SER . 4.6 m -90.67 -65.07 1.05 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -45.75 -31.6 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.363 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 95' ' ' HIS . 3.0 pttt -75.93 -30.6 58.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.561 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.26 -9.35 36.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -118.13 79.63 14.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.438 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.95 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.645 1.866 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 42.92 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 107' ' ' LYS . 3.4 t-20 -61.57 150.57 35.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 107' ' ' LYS . 3.0 m-20 -49.2 -29.13 5.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 109' ' ' MET . 8.9 m-20 -84.65 28.04 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' ASN . 19.9 pttm -40.4 -29.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 106' ' ' ASP . 1.8 t -51.98 -48.34 64.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.479 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 1.3 ttp -103.01 -4.0 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.485 ' O ' ' HB1' ' A' ' 101' ' ' ALA . 1.0 OUTLIER -89.36 -79.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.324 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.428 ' O ' HG13 ' A' ' 114' ' ' VAL . 7.1 m -48.13 -44.44 32.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.682 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.09 -47.51 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 1.3 t0 -39.9 -57.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.468 HG21 ' HB2' ' A' ' 98' ' ' GLU . 1.5 p -76.98 -48.64 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.674 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -45.63 -26.16 0.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.56 ' HG3' HD11 ' A' ' 112' ' ' ILE . 1.8 mmt -103.11 -31.95 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 8.8 t -42.38 -55.24 3.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 1.18 ' CE1' HD21 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -66.28 -34.52 78.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 111.006 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 116' ' ' MET . 6.4 mmtt -57.16 -30.2 64.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.185 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -67.75 -32.91 73.85 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -59.17 -29.19 67.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.899 HD11 ' CE1' ' A' ' 118' ' ' PHE . 3.0 mm -63.7 -39.35 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 39' ' ' ASP . 4.1 t-80 -49.29 -20.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.508 ' O ' ' O ' ' A' ' 125' ' ' LEU . 5.0 mttm -97.97 27.0 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.989 HD11 ' CE2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.26 -99.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.66 ' H ' HD13 ' A' ' 125' ' ' LEU . 9.5 t30 -98.23 -31.05 12.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.989 ' CE2' HD11 ' A' ' 125' ' ' LEU . 4.2 p-90 -103.48 134.56 46.64 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.629 1.206 . . . . 0.0 107.988 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 128' ' ' VAL . 9.9 p -93.92 113.87 61.65 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.411 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.2 Cg_endo -75.0 49.33 2.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -41.77 -30.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.441 ' O ' ' CG ' ' A' ' 131' ' ' MET . 0.0 OUTLIER -94.75 108.61 20.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -129.22 119.12 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.86 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.51 109.79 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.438 HG12 HD13 ' A' ' 135' ' ' ILE . 2.3 p -116.92 -5.56 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.57 -20.33 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.71 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 81.25 23.76 58.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.559 1.162 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -123.58 173.98 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -75.43 117.78 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.397 1.06 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 140' ' ' ALA . 0.5 OUTLIER 177.4 -49.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.603 ' N ' HD23 ' A' ' 139' ' ' LEU . . . -103.85 162.34 13.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.601 1.188 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.25 90.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.235 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -167.09 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.442 1.759 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -25.96 48.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.741 HD12 ' HB1' ' A' ' 31' ' ' ALA . 6.2 mm -50.63 -40.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -25.21 63.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.62 109.57 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -116.04 138.07 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.898 HD22 ' N ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -72.26 -164.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.898 ' N ' HD22 ' A' ' 8' ' ' LEU . 29.7 t -52.78 -105.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.632 ' O ' ' N ' ' A' ' 12' ' ' PHE . 5.2 m-20 -130.26 -30.2 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.603 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -23.35 -44.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 1.132 ' CD2' HD11 ' A' ' 55' ' ' LEU . 20.3 m-85 -107.82 -62.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CE ' ' A' ' 16' ' ' MET . . . -41.04 -32.21 0.56 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.395 1.06 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -80.2 -51.29 9.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -60.81 -45.06 95.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.633 ' HE2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -65.36 -35.92 82.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.401 1.063 . . . . 0.0 110.947 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.633 ' N ' ' HE2' ' A' ' 16' ' ' MET . 7.4 t0 -70.87 -49.23 48.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.236 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.459 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.7 mt-30 -68.68 -31.49 70.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.498 ' O ' HD12 ' A' ' 25' ' ' LEU . 2.5 m -65.89 -35.73 81.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.345 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.3 OUTLIER -67.24 -5.39 13.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.507 1.13 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 -68.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -48.47 -42.87 33.94 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.528 ' HB2' HD12 ' A' ' 25' ' ' LEU . 2.2 mt -98.71 -11.73 21.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.63 17.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.948 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.689 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.05 167.42 30.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.779 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.5 Cg_endo -75.05 119.19 5.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.797 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' HB2' ' CG ' ' A' ' 16' ' ' MET . 54.9 p-10 -68.48 0.08 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 26' ' ' PRO . 4.0 p -81.61 -39.88 23.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.933 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 26' ' ' PRO . 14.5 m -64.74 -37.14 79.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.533 HG11 ' CB ' ' A' ' 51' ' ' ALA . 13.4 m -74.96 -32.37 27.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.741 ' HB1' HD12 ' A' ' 4' ' ' ILE . . . -68.78 -19.05 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.536 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 2.0 t0 -69.43 -25.26 64.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.593 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -57.82 -49.06 77.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.392 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -21.13 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.549 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 1.2 m120 -82.54 -72.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 35' ' ' ASN . 0.0 OUTLIER 160.84 41.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.656 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -92.16 19.01 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 108.061 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.642 ' O ' ' CE2' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -43.44 -58.2 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.484 ' HA ' ' CG ' ' A' ' 123' ' ' HIS . 26.8 p-10 -47.4 -35.32 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.506 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 15.1 t0 -84.41 81.91 8.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.642 ' CE2' ' O ' ' A' ' 38' ' ' LYS . 72.3 m-85 -98.92 -172.69 2.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 46' ' ' ARG . 18.0 m -35.86 -34.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.163 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.3 ptp -40.8 -25.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -120.81 -49.4 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 110.442 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.461 ' OD2' HG21 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -126.46 99.35 5.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.506 ' HA ' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -62.53 -43.68 98.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.671 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.47 -43.39 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.39 64.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.518 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -80.35 -30.81 39.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.049 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.31 -45.48 19.59 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.533 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -56.54 -48.49 77.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -56.47 -38.69 57.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.532 1.145 . . . . 0.0 109.389 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.58 92.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.539 ' O ' HG22 ' A' ' 57' ' ' THR . 0.4 OUTLIER -63.02 -26.73 68.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 1.189 . . . . 0.0 108.294 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.132 HD11 ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -51.95 -34.91 44.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.61 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -68.4 -14.28 62.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.61 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -19.9 -57.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.601 ' O ' HG22 ' A' ' 61' ' ' VAL . 7.5 mmtt -111.79 87.78 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.638 1.211 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.593 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -54.99 -17.74 4.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -67.05 -23.22 65.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.375 1.047 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.8 m -79.72 -42.09 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.593 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.77 -46.25 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -124.4 110.43 28.49 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.396 1.06 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -41.08 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.787 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.45 3.2 17.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 100.64 45.62 1.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.403 ' H ' ' CB ' ' A' ' 63' ' ' ASP . 12.1 t-20 -53.0 -35.77 59.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 0.787 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.979 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.13 -173.57 1.8 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 109.39 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.534 ' N ' HD13 ' A' ' 68' ' ' LEU . 18.9 m-70 -143.41 116.68 9.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.605 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.529 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 5.4 t60 -40.92 141.58 0.58 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.557 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.07 -45.33 3.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -128.54 82.77 2.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 0.72 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.49 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.49 130.05 41.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.551 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -61.67 171.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.504 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 4.0 m-20 -71.04 1.6 5.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.551 ' CE2' ' HG2' ' A' ' 74' ' ' LYS . 9.1 m-85 -91.35 -44.06 9.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.657 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -61.43 -58.93 6.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.532 ' C ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -80.21 39.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.465 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 12.9 tttt -154.13 -54.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.61 1.194 . . . . 0.0 109.203 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.455 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -67.61 -6.22 19.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.591 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.74 25.0 0.73 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.145 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.532 ' HB3' ' C ' ' A' ' 78' ' ' MET . . . -131.06 134.34 46.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.93 143.71 52.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -42.77 -34.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.443 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 10.9 t -80.45 -43.48 20.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.503 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 7.8 ttm -52.82 -43.14 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -52.17 -46.99 65.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -43.28 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.235 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.0 mm100 -47.33 -54.55 10.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.752 ' O ' HD13 ' A' ' 93' ' ' ILE . 13.4 mt -46.51 -47.74 19.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.388 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.486 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.0 t -52.87 -18.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 33.1 t0 -74.55 -68.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.83 -46.63 88.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.437 1.086 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.689 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -51.98 -24.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.11 -30.57 58.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -87.7 -24.03 37.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -87.68 -63.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.65 -35.58 4.22 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 2.5 pttt -71.61 -31.31 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.32 -6.84 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.996 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.68 84.7 12.92 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.582 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.5 Cg_endo -74.94 175.92 10.58 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.93 46.38 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.42 143.09 58.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -56.18 -19.53 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.246 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.2 OUTLIER -81.56 31.27 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -41.67 -25.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.398 1.061 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.462 ' N ' ' C ' ' A' ' 106' ' ' ASP . 32.3 t -61.5 -51.31 69.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 3.1 ptm -98.51 -9.02 25.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.582 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.49 -69.15 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.415 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 7.1 m -49.14 -43.36 41.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.729 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.37 -47.38 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.422 1.076 . . . . 0.0 109.212 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -41.75 -53.19 3.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.381 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.491 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -74.84 -49.13 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.12 -22.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.582 ' HG3' ' CD1' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -103.46 -36.86 7.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 3.5 t -40.23 -45.94 2.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.414 1.072 . . . . 0.0 108.254 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.1 OUTLIER -66.99 -50.92 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -30.19 70.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.61 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -59.15 -28.58 66.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -60.37 -29.78 69.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.663 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.7 mm -75.94 -38.79 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.596 ' CE1' ' HG3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -48.3 -18.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.663 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.471 ' N ' ' C ' ' A' ' 122' ' ' ILE . 39.5 mttt -95.95 25.64 4.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.753 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -44.12 -94.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.644 ' H ' HD13 ' A' ' 125' ' ' LEU . 10.4 t30 -96.14 -22.03 17.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.606 ' CD1' ' N ' ' A' ' 127' ' ' TRP . 0.0 OUTLIER -90.48 138.7 31.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 30.8 m -121.28 117.06 30.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.596 ' HG3' ' CE1' ' A' ' 123' ' ' HIS . 18.1 Cg_endo -75.04 51.48 2.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 129' ' ' PRO . 2.7 t30 -39.06 -31.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.438 ' N ' ' C ' ' A' ' 129' ' ' PRO . 6.3 mtt -104.38 100.39 10.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.78 114.3 15.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.837 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -63.05 112.02 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.541 HG12 HD13 ' A' ' 135' ' ' ILE . 6.1 p -116.07 -11.8 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.541 HD13 HG12 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -106.39 -20.33 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.796 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 79.88 30.26 43.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -121.14 168.71 11.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 0.743 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 138' ' ' VAL . 34.1 m -65.85 106.62 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 tt -176.14 -45.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 133' ' ' LEU . . . -106.72 164.84 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.98 91.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 142' ' ' VAL . 11.0 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 -167.05 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.558 1.82 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.571 ' OE2' ' CE1' ' A' ' 34' ' ' TYR . 19.9 mm-40 -55.47 -25.73 38.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.248 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 5.3 mm -52.08 -37.64 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.55 -14.92 19.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.9 104.59 12.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -121.4 151.11 40.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.85 HD22 ' HB2' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -59.77 176.29 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 m -49.98 -91.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' PHE . 7.1 m-20 -118.09 -36.7 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.85 ' HB2' HD22 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -35.14 -34.33 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.718 ' CZ ' HD21 ' A' ' 55' ' ' LEU . 15.4 m-85 -115.17 -67.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.13 -34.11 2.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 2.0 tmmt? -80.2 -51.14 9.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -58.5 -43.19 88.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.535 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 15.4 mmt -68.73 -39.57 80.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -69.05 -48.61 62.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 14.8 mt-30 -66.04 -36.06 82.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.531 ' O ' HD12 ' A' ' 25' ' ' LEU . 10.7 m -62.48 -36.29 82.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 108.33 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -66.98 -6.9 18.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -68.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.364 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -48.48 -42.48 32.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.538 ' HB2' HD12 ' A' ' 25' ' ' LEU . 4.2 mt -98.35 -12.12 21.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.371 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 51.27 16.92 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.53 166.13 38.1 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.745 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -75.03 119.54 5.68 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.519 1.8 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.545 ' HA ' HG22 ' A' ' 30' ' ' VAL . 46.7 p-10 -68.08 -0.26 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 26' ' ' PRO . 22.6 p -82.03 -41.2 21.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 26' ' ' PRO . 11.4 m -65.35 -36.72 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.592 HG13 HD21 ' A' ' 25' ' ' LEU . 34.2 m -76.42 -31.83 21.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.488 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.44 -16.14 63.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.416 ' HB3' ' CB ' ' A' ' 37' ' ' TRP . 23.5 t0 -79.29 -26.59 42.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.573 ' HG ' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -50.54 -50.58 52.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.571 ' CE1' ' OE2' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -61.44 -21.51 64.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.468 ' OD1' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -84.85 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.211 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.4 p90 174.11 44.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.589 ' O ' ' CD2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.4 0.83 57.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -44.79 -55.19 5.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.478 ' CA ' ' HB2' ' A' ' 123' ' ' HIS . 7.9 t70 -56.13 -35.47 67.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.557 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 11.9 t0 -71.48 83.21 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.513 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 69.8 t80 -82.09 173.91 11.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.881 HG13 ' HB2' ' A' ' 46' ' ' ARG . 39.4 t -39.59 -30.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.448 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.7 OUTLIER -41.38 -26.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.438 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -114.8 -54.77 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.543 ' OD2' HG21 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -131.82 102.89 6.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.881 ' HB2' HG13 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -65.53 -42.81 91.56 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.571 1.169 . . . . 0.0 110.256 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.675 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -48.21 -43.33 31.92 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.591 1.182 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.513 ' HB1' ' CE2' ' A' ' 37' ' ' TRP . . . -56.54 -28.65 60.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.503 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.4 -27.54 43.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.105 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.55 -46.54 9.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.577 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -54.47 -47.96 72.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.562 HD13 HD12 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -54.19 -48.58 66.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.4 ' N ' HG23 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -58.44 -42.36 87.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.393 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -58.38 -24.85 61.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.718 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -52.48 -34.22 48.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.621 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.4 -12.82 60.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -17.68 -60.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.724 ' O ' HG22 ' A' ' 61' ' ' VAL . 9.0 mmtm -113.27 103.35 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.614 HD23 ' CD2' ' A' ' 69' ' ' HIS . 1.2 mp -71.43 -19.83 62.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.28 -34.89 79.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 58' ' ' LYS . 31.2 m -84.37 -38.43 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.75 -44.85 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.46 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -129.72 107.68 17.03 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.447 1.761 . . . . 0.0 111.046 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -110.56 4.27 20.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.96 47.25 1.93 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.04 -37.65 54.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.021 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.07 -174.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.614 ' CD2' HD23 ' A' ' 59' ' ' LEU . 27.8 m80 -146.39 116.16 7.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.593 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 1.7 p-80 -39.72 141.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.63 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.48 -44.95 2.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -130.32 85.19 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -64.58 130.21 42.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 171.6 1.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.514 1.134 . . . . 0.0 109.204 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.536 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 2.3 m-20 -70.8 0.59 6.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -87.1 -46.31 9.9 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -65.07 -58.67 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.536 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -76.92 42.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.486 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 6.7 tptt -152.99 -55.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.411 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -69.3 -5.72 24.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.627 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -161.16 46.7 0.38 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.765 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.26 138.32 49.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -88.05 146.96 25.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -43.51 -32.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.7 t -77.87 -44.58 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.765 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -55.91 -23.96 34.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -58.09 -57.04 14.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.66 -43.31 10.82 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 69.0 mm-40 -41.3 -61.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.787 HD21 ' CD1' ' A' ' 118' ' ' PHE . 11.1 mp -48.75 -45.34 39.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.594 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -58.1 -20.49 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 31.9 t0 -70.58 -70.03 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.715 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.0 -46.54 93.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.247 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.546 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mm -53.5 -26.46 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.594 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.7 m170 -76.49 -31.47 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.406 ' CA ' ' HG2' ' A' ' 99' ' ' LYS . . . -90.03 -24.65 29.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.606 1.191 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 100' ' ' SER . 12.5 m -89.54 -64.67 1.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -45.49 -32.44 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 110.272 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 95' ' ' HIS . 10.5 ptpt -75.36 -31.06 60.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.2 -6.06 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -114.47 84.3 9.58 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.573 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -74.99 175.92 10.6 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.09 48.29 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.472 ' CB ' ' OD1' ' A' ' 106' ' ' ASP . 78.6 m-20 -62.65 150.83 39.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 107' ' ' LYS . 76.1 m-20 -57.04 -28.98 63.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.388 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 109' ' ' MET . 33.4 p-10 -81.64 32.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.167 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.496 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 8.3 pttt -41.5 -26.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 106' ' ' ASP . 41.9 t -63.2 -52.2 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.49 ' C ' HG22 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -90.51 -10.0 45.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.573 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -89.03 -66.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.598 1.186 . . . . 0.0 109.231 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.722 ' O ' ' N ' ' A' ' 115' ' ' ALA . 9.6 m -43.19 -46.6 6.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -47.6 -46.88 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.373 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 1.3 t70 -42.08 -58.56 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.539 ' HA ' ' HB2' ' A' ' 117' ' ' CYS . 0.9 OUTLIER -84.44 -49.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.722 ' N ' ' O ' ' A' ' 111' ' ' THR . . . -47.89 -24.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 112' ' ' ILE . 1.1 ttm -103.08 -27.6 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.539 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 11.0 t -40.2 -53.62 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 108.359 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.787 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -67.12 -44.09 80.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -58.12 -29.52 65.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.357 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.1 OUTLIER -65.42 -26.83 68.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -53.44 -34.33 57.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.762 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.2 mm -70.5 -37.27 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.478 ' HB2' ' CA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -50.03 -15.5 0.21 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.639 1.212 . . . . 0.0 109.605 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.49 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 20.5 mttt -96.35 25.31 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.781 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.16 -93.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.57 ' H ' HD13 ' A' ' 125' ' ' LEU . 11.6 t-20 -109.31 -4.06 16.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.557 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.9 OUTLIER -90.6 155.57 18.76 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 128' ' ' VAL . 7.3 m -100.1 117.41 63.29 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.49 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.4 Cg_endo -75.03 51.27 2.75 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.553 1.817 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.9 t30 -39.24 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.442 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -108.48 100.97 10.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.944 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.461 ' C ' ' HB1' ' A' ' 140' ' ' ALA . 13.3 t0 -130.32 125.45 34.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.849 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -55.1 130.02 40.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.407 ' HB ' HD13 ' A' ' 135' ' ' ILE . 50.4 t -114.14 -58.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.467 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.41 -11.05 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.19 27.41 36.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.064 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.89 175.6 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.741 . . . . 0.0 110.355 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.415 ' H ' HG12 ' A' ' 138' ' ' VAL . 1.4 p -64.07 100.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 8.6 tt -174.53 -63.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.255 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 133' ' ' LEU . . . -95.5 164.31 12.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.226 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.85 87.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 140' ' ' ALA . 1.9 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 109.365 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -163.91 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.528 1.804 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -52.91 -25.2 11.03 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 4' ' ' ILE . 3.4 mm -60.15 -38.15 75.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.645 1.215 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.91 -0.05 49.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.503 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 2.6 tttt -117.82 106.45 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -118.6 140.04 50.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.635 HD22 ' HB2' ' A' ' 11' ' ' ASN . 1.1 tt -59.44 177.79 0.18 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.497 ' N ' HD23 ' A' ' 8' ' ' LEU . 58.2 m -48.63 -95.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -116.98 -35.74 4.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.635 ' HB2' HD22 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -35.08 -36.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.178 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 10' ' ' ASN . 21.7 m-85 -114.34 -66.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.73 -33.64 1.1 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 14.8 ttpt -79.84 -53.35 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.8 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.849 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -60.19 -42.81 95.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.617 ' HG3' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -62.06 -42.67 99.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.088 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.97 -46.8 70.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 13.1 mt-30 -67.15 -40.18 86.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.497 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.5 m -60.87 -38.44 85.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 108.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.4 OUTLIER -66.85 -5.22 11.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.072 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.16 -69.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.488 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -45.49 -45.53 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 50' ' ' CYS . 0.2 OUTLIER -98.37 -11.44 22.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 51.32 18.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.676 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.0 166.74 35.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.715 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.2 Cg_endo -74.98 119.86 5.83 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' HA ' HG22 ' A' ' 30' ' ' VAL . 45.1 p-10 -67.93 0.3 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 26' ' ' PRO . 14.6 p -81.51 -42.05 20.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 26' ' ' PRO . 11.5 m -65.23 -36.99 79.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.646 HG11 ' CB ' ' A' ' 51' ' ' ALA . 16.8 m -74.95 -31.91 26.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -67.91 -16.73 64.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.071 . . . . 0.0 109.24 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -66.5 -37.48 85.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 4.2 tp -47.78 -50.73 24.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.503 ' CE2' ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -52.07 -22.8 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.948 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.529 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 1.1 t30 -85.74 -70.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.529 ' CG ' ' C ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER 162.57 44.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 111.082 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.668 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.52 15.77 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 108.09 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.691 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 7.9 ptmt -45.27 -59.74 2.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.502 ' HA ' ' ND1' ' A' ' 123' ' ' HIS . 8.2 p-10 -47.16 -35.29 7.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.611 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 8.6 t70 -72.6 82.58 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.583 1.177 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.55 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 47.7 t80 -80.49 172.39 13.82 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.459 1.099 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.829 HG22 ' HA ' ' A' ' 46' ' ' ARG . 3.2 t -38.68 -30.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -43.08 -23.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.61 -54.54 2.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.403 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.408 ' OD2' HG21 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -131.32 104.5 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.829 ' HA ' HG22 ' A' ' 42' ' ' VAL . 1.2 ttm180 -67.18 -43.27 82.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.649 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.22 -42.82 20.91 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' HA ' HG12 ' A' ' 30' ' ' VAL . . . -57.56 -33.23 67.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -78.89 -31.69 42.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.529 ' HB3' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -79.97 -45.22 18.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.646 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -56.61 -50.03 73.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -59.44 -41.34 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -41.5 98.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.966 ' O ' HG23 ' A' ' 57' ' ' THR . 0.1 OUTLIER -68.82 -27.98 66.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 108.373 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.858 ' O ' HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -41.29 -28.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.646 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -63.16 -11.16 18.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.966 HG23 ' O ' ' A' ' 54' ' ' CYS . 23.3 p -12.46 -64.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.605 1.191 . . . . 0.0 110.46 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 1.101 ' O ' HG22 ' A' ' 61' ' ' VAL . 2.6 tptt -117.78 94.96 4.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.7 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -54.69 -15.53 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.604 1.19 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 58' ' ' LYS . 17.4 t0 -71.06 -24.83 62.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.101 HG22 ' O ' ' A' ' 58' ' ' LYS . 17.7 m -80.03 -37.39 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.7 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -84.7 -45.88 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.5 p30 -123.05 103.61 36.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -42.71 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.18 2.71 16.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.53 39.71 2.52 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.419 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 0.9 OUTLIER -52.38 -42.32 63.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 0.713 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.986 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -165.63 -176.47 3.93 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.155 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.521 ' N ' HD13 ' A' ' 68' ' ' LEU . 7.2 m-70 -145.97 115.91 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -41.97 141.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.642 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.11 -45.4 3.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -129.43 81.29 2.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.53 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.42 130.54 43.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.223 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -61.42 171.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.524 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 5.9 m-20 -70.25 0.48 6.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 74' ' ' LYS . 44.9 m-85 -90.28 -45.42 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.602 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -61.74 -58.85 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.524 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -79.16 40.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.069 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.474 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 1.4 tttm -154.43 -56.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.455 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -66.5 -6.67 15.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.573 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -157.85 36.8 0.54 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.561 1.163 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.32 131.07 45.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.385 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.89 141.53 49.52 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.391 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.3 -32.99 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 t -77.45 -44.69 28.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.407 1.067 . . . . 0.0 110.418 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.727 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.78 -27.31 59.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.445 1.09 . . . . 0.0 111.034 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -61.24 -47.28 86.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.54 ' OE1' ' C ' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -87.69 -51.71 5.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.1 mm100 -38.93 -56.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.801 HD21 ' CD1' ' A' ' 118' ' ' PHE . 8.5 mp -46.85 -46.03 20.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.588 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 9.0 t -52.36 -17.71 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 37.8 t0 -75.57 -69.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.674 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.48 -46.79 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.661 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -52.09 -24.11 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.588 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.19 -30.85 58.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.635 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.29 -24.07 35.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.21 -63.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -45.21 -33.31 2.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.423 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 11.8 ptpt -74.01 -31.66 63.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.07 -7.55 39.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.561 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -115.76 84.99 13.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.566 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.96 176.05 10.41 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.59 1.837 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -74.93 45.74 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.661 1.874 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.457 ' N ' ' HD2' ' A' ' 110' ' ' LYS . 2.0 t-20 -62.46 140.5 58.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.643 1.214 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' A' ' 107' ' ' LYS . 3.7 m-20 -57.39 -17.61 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.5 OUTLIER -79.28 34.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 109.254 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 105' ' ' ASP . 2.6 mttp -40.66 -26.03 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 106' ' ' ASP . 12.9 t -60.47 -51.27 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -104.61 -4.47 22.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.566 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.57 -69.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.097 . . . . 0.0 109.244 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.3 m -52.16 -42.65 63.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.673 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -46.64 -47.51 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.82 -53.39 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -79.11 -49.12 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.366 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.66 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -46.88 -23.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.474 ' CG ' HD11 ' A' ' 112' ' ' ILE . 1.7 mmt -105.02 -36.32 7.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.2 t -42.06 -53.73 3.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 108.384 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.801 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.58 -42.45 91.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 110.926 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.574 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.7 OUTLIER -60.34 -29.13 68.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.536 ' HA ' ' CE1' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -58.81 -30.22 67.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -60.9 -29.29 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.227 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.712 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.2 mm -76.78 -40.78 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.423 1.077 . . . . 0.0 109.379 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.691 ' CD2' ' HB2' ' A' ' 38' ' ' LYS . 2.6 m170 -49.55 -17.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.605 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.485 ' CD ' ' HG3' ' A' ' 129' ' ' PRO . 0.9 OUTLIER -96.53 26.27 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.906 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -44.33 -94.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.619 ' H ' HD13 ' A' ' 125' ' ' LEU . 9.7 t-20 -109.33 -3.52 17.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 109.32 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.906 ' CD2' HD11 ' A' ' 125' ' ' LEU . 1.2 m0 -89.04 152.19 21.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.1 p -95.89 116.95 66.57 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.339 1.024 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.485 ' HG3' ' CD ' ' A' ' 124' ' ' LYS . 18.3 Cg_endo -74.94 50.46 2.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.5 p30 -40.01 -28.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.47 ' N ' ' C ' ' A' ' 129' ' ' PRO . 12.6 mmt -94.43 103.35 15.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 134' ' ' VAL . 9.0 t0 -127.5 126.95 43.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.513 HD13 ' H ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -60.97 81.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 132' ' ' ASP . 8.6 p -116.21 3.8 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.067 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.505 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.85 -20.55 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.513 ' H ' HD13 ' A' ' 133' ' ' LEU . . . 77.04 24.16 67.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.437 1.086 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.436 ' O ' HD21 ' A' ' 133' ' ' LEU . 0.2 OUTLIER -127.67 149.29 50.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 110.252 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 138' ' ' VAL . 14.6 m -65.01 108.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -174.91 -61.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.76 165.15 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.462 ' HG3' ' CE ' ' A' ' 43' ' ' MET . 3.0 mt-10 -69.6 88.32 0.5 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.58 1.175 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.42 HG22 ' HG ' ' A' ' 133' ' ' LEU . 65.0 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.506 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 1' ' ' SER . 18.1 Cg_endo -75.0 -163.94 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.42 1.747 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' LYS . 2.2 tp10 -53.94 -25.5 20.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.222 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.803 HD12 ' HB1' ' A' ' 31' ' ' ALA . 4.5 mm -55.96 -36.67 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -29.19 68.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 111.01 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -109.45 106.44 16.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -118.33 147.81 43.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.223 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 11' ' ' ASN . 0.4 OUTLIER -60.04 -173.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.478 ' H ' HD23 ' A' ' 8' ' ' LEU . 15.2 t -59.8 -91.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.941 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' PHE . 74.7 m-20 -119.59 -38.17 3.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.791 ' HB3' HD22 ' A' ' 8' ' ' LEU . 1.7 t30 -34.36 -35.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.76 ' CD1' HD11 ' A' ' 55' ' ' LEU . 5.1 m-85 -114.73 -68.62 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' ' CE ' ' A' ' 16' ' ' MET . . . -44.26 -37.17 4.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 4.8 ttpt -81.19 -45.47 16.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.229 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.722 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -60.63 -46.24 91.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.681 ' HE2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -67.53 -36.65 81.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.681 ' N ' ' HE2' ' A' ' 16' ' ' MET . 8.3 t70 -71.24 -48.77 49.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.4 mt-30 -67.39 -32.2 72.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.582 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.3 m -64.12 -39.64 94.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 108.363 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 24' ' ' SER . 4.3 ttpt -65.16 -5.67 7.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 0.0 109.313 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.05 -69.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 1.8 pt-20 -47.65 -45.78 28.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 51' ' ' ALA . 63.9 mt -99.02 -10.6 22.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.576 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.52 18.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.661 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -81.9 168.93 20.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.784 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.2 Cg_endo -74.99 120.98 6.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.792 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.472 ' HB2' ' CG ' ' A' ' 16' ' ' MET . 42.4 p-10 -67.86 0.54 3.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 26' ' ' PRO . 30.3 p -81.95 -39.79 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.784 HG22 ' O ' ' A' ' 26' ' ' PRO . 15.8 m -64.85 -37.86 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.474 ' CG1' ' HG3' ' A' ' 16' ' ' MET . 9.1 p -73.83 -31.76 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.803 ' HB1' HD12 ' A' ' 4' ' ' ILE . . . -67.31 -23.67 65.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -62.64 -29.52 70.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.61 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 17.0 tp -51.45 -49.27 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 31' ' ' ALA . 20.0 m-85 -65.98 -23.43 66.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 1.5 t30 -84.37 -70.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 168.07 69.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 111.025 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.611 ' CZ3' ' HB1' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -91.56 8.26 37.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 1.176 . . . . 0.0 108.039 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -43.7 -58.23 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.403 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.565 ' HB2' ' CE1' ' A' ' 123' ' ' HIS . 0.3 OUTLIER -67.4 -33.48 75.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.187 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -69.64 93.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.358 1.036 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.52 ' HH ' ' CG ' ' A' ' 113' ' ' ASP . 11.8 t80 -98.4 156.88 16.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.819 HG13 ' CB ' ' A' ' 46' ' ' ARG . 33.3 t -39.94 -29.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -39.9 -26.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.956 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -109.8 -52.19 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.401 ' OD1' HD23 ' A' ' 47' ' ' LEU . 11.5 t70 -134.35 105.62 6.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.819 ' CB ' HG13 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -71.73 -33.36 68.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.821 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -47.72 -44.93 28.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.611 ' HB1' ' CZ3' ' A' ' 37' ' ' TRP . . . -56.83 -31.63 64.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.518 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -83.38 -30.09 31.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.567 1.167 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.81 -45.05 21.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HA ' HD12 ' A' ' 23' ' ' LEU . . . -53.43 -46.9 69.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -58.33 -39.21 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.361 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.52 -46.51 80.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.59 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -63.19 -30.21 71.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 108.317 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.76 HD11 ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -53.95 -33.38 56.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.616 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.5 -13.28 61.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.208 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.616 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.97 -59.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.437 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.659 ' O ' HG22 ' A' ' 61' ' ' VAL . 53.9 mmtt -113.18 93.13 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.646 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -57.95 -15.98 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -23.28 62.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.5 m -81.5 -42.04 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.646 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.26 -45.54 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.485 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -124.12 109.93 29.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -41.38 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.02 -0.55 16.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.382 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 104.73 46.12 1.32 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -53.57 -36.28 61.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.488 0.758 . . . . 0.0 109.355 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.002 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -167.27 -173.98 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.595 1.184 . . . . 0.0 109.285 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.491 ' CD2' HD23 ' A' ' 59' ' ' LEU . 26.8 m80 -144.9 116.68 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -40.43 140.18 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.649 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.03 -45.8 3.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 3.5 t30 -122.7 73.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 0.8 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.647 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -62.09 130.8 47.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' O ' ' SD ' ' A' ' 78' ' ' MET . 6.5 mmtt -60.38 171.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.484 ' O ' ' CE ' ' A' ' 78' ' ' MET . 22.7 m-20 -71.0 0.88 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 74' ' ' LYS . 6.0 m-85 -101.16 -34.91 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.681 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -53.73 -76.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.73 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.16 42.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.8 OUTLIER -141.24 -50.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -5.27 22.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -144.64 23.09 2.0 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.431 1.082 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.505 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -132.37 160.26 36.84 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.597 0.822 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -85.55 143.38 28.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -39.86 -30.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.503 HG22 ' CG ' ' A' ' 83' ' ' ASP . 1.6 t -66.5 -40.6 89.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.46 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.564 ' N ' ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -46.82 -37.63 8.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -48.78 -48.93 40.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.35 -45.92 7.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' A' ' 92' ' ' ASP . 2.3 mt-30 -43.56 -60.67 1.66 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 93' ' ' ILE . 9.4 mp -45.28 -45.18 11.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.539 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 3.2 t -53.14 -16.02 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.369 1.043 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' GLN . 1.1 m-20 -77.9 -69.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.745 HG21 ' OE2' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -65.83 -47.16 86.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.661 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -52.23 -24.83 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.229 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.47 -31.78 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.5 -24.12 31.88 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.067 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -88.82 -63.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.6 tt0 -45.31 -33.34 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.25 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.4 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 21.4 pttt -74.77 -31.54 61.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.0 -6.0 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.565 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -114.65 83.92 9.5 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.597 1.186 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.55 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.1 Cg_endo -75.09 176.5 9.85 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.414 1.744 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.439 ' HA ' ' NZ ' ' A' ' 110' ' ' LYS . 18.5 Cg_endo -74.92 46.7 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.811 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.33 140.96 58.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.634 1.209 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 107' ' ' LYS . 52.5 m-20 -57.03 -17.78 11.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.2 m-20 -80.47 33.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.486 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -40.18 -26.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.498 ' N ' ' C ' ' A' ' 106' ' ' ASP . 12.9 t -60.31 -51.35 69.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 108.257 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -103.6 -4.65 23.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.2 OUTLIER -88.76 -72.35 0.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.6 m -52.01 -44.23 64.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.456 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.729 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -47.77 -43.53 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.52 ' CG ' ' HH ' ' A' ' 41' ' ' TYR . 2.1 t70 -43.61 -54.18 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.565 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -72.58 -49.81 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.37 -21.9 1.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.614 ' SD ' HD11 ' A' ' 112' ' ' ILE . 1.9 tpt -101.21 -36.51 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.2 t -43.86 -48.58 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.307 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.643 ' CD1' HD21 ' A' ' 90' ' ' LEU . 1.1 t80 -65.78 -38.86 90.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -29.63 70.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 123' ' ' HIS . 0.1 OUTLIER -62.22 -29.65 70.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.745 ' OE2' HG21 ' A' ' 93' ' ' ILE . 27.1 mm-40 -60.81 -27.53 68.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.692 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.9 mm -73.34 -38.04 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 39' ' ' ASP . 0.8 OUTLIER -46.41 -18.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.645 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.477 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.3 OUTLIER -93.83 25.11 3.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.586 1.178 . . . . 0.0 109.37 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.731 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -48.88 -96.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.39 1.057 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.682 ' H ' HD13 ' A' ' 125' ' ' LEU . 28.0 m-80 -98.63 -25.23 14.79 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.387 1.054 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.623 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -90.43 139.04 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.162 . . . . 0.0 107.983 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.18 117.58 68.57 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.522 ' HB3' ' CD2' ' A' ' 123' ' ' HIS . 18.5 Cg_endo -74.91 51.38 2.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' PRO . 42.8 t30 -39.04 -30.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.443 ' N ' ' C ' ' A' ' 129' ' ' PRO . 1.1 ttt -96.21 100.78 12.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.553 ' O ' ' HB1' ' A' ' 140' ' ' ALA . 4.4 m-20 -130.15 118.68 21.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.88 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -175.95 106.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.411 ' CG1' HD13 ' A' ' 135' ' ' ILE . 13.8 p -116.06 -14.68 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.485 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.8 -19.51 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.424 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 70.1 33.21 69.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.409 1.068 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -130.27 173.42 10.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 0.8 . . . . 0.0 110.319 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 138' ' ' VAL . 14.6 m -73.25 99.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.1 tp -178.9 -41.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.553 ' HB1' ' O ' ' A' ' 132' ' ' ASP . . . -90.81 166.19 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 132' ' ' ASP . 0.3 OUTLIER -73.6 84.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' GLU . 58.6 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -164.59 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.442 1.759 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.513 ' HB3' ' CG ' ' A' ' 34' ' ' TYR . 2.3 mm-40 -54.91 -25.13 27.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.903 HG23 ' HB1' ' A' ' 31' ' ' ALA . 4.6 mm -56.37 -38.53 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.378 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -0.09 53.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.55 105.48 10.87 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.082 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -119.98 143.44 48.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.841 HD22 ' HB2' ' A' ' 11' ' ' ASN . 1.7 tt -61.65 177.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.554 ' N ' HD23 ' A' ' 8' ' ' LEU . 45.3 m -48.72 -90.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -117.45 -36.88 3.61 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.841 ' HB2' HD22 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -35.41 -34.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.519 ' HA ' HD21 ' A' ' 55' ' ' LEU . 12.1 m-85 -113.39 -69.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.86 -32.89 1.02 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 3.6 tmmm? -80.14 -52.67 7.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.831 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -60.29 -44.42 95.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.536 ' CE ' HG21 ' A' ' 30' ' ' VAL . 23.1 mmt -63.64 -39.28 93.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -74.54 -37.58 62.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 15.1 mt-30 -72.68 -40.91 65.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.186 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.553 ' O ' HD12 ' A' ' 25' ' ' LEU . 87.8 m -62.52 -37.09 84.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.343 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -66.85 -6.75 17.55 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.609 1.193 . . . . 0.0 109.261 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.34 -69.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 1.9 pt-20 -47.57 -43.66 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.685 HD13 ' HB3' ' A' ' 50' ' ' CYS . 24.8 mt -98.7 -11.82 21.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.37 1.044 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.536 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER 51.77 17.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.53 165.87 39.62 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.647 1.217 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.848 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.5 Cg_endo -75.0 120.72 6.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.398 1.736 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' CG ' ' HD2' ' A' ' 20' ' ' LYS . 32.2 p-10 -68.48 0.54 3.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.434 ' H ' ' C ' ' A' ' 26' ' ' PRO . 22.1 p -82.4 -40.1 21.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 26' ' ' PRO . 20.0 m -62.68 -37.94 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.536 HG21 ' CE ' ' A' ' 16' ' ' MET . 8.4 p -74.45 -30.27 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.903 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -66.76 -29.84 69.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -59.92 -23.75 63.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.647 HD23 ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -59.06 -51.04 71.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.513 ' CG ' ' HB3' ' A' ' 3' ' ' GLU . 0.3 OUTLIER -51.7 -24.62 5.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.498 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 2.4 m-20 -85.71 -72.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.498 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 9.8 p90 176.64 59.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.659 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.42 19.17 6.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -55.56 -55.71 28.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' CA ' ' HB2' ' A' ' 123' ' ' HIS . 23.4 t0 -64.93 -29.13 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -69.35 82.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.857 ' CE1' HG22 ' A' ' 42' ' ' VAL . 12.0 t80 -78.71 155.01 29.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.857 HG22 ' CE1' ' A' ' 41' ' ' TYR . 27.0 m -40.05 -30.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.451 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.9 OUTLIER -41.79 -25.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.905 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -111.24 -52.34 2.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.079 . . . . 0.0 110.34 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.6 91.15 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.947 ' HG3' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.84 -33.52 75.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.947 HD13 ' HG3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -50.31 -43.23 53.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.575 1.172 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.62 ' HB1' ' CD1' ' A' ' 37' ' ' TRP . . . -56.86 -32.71 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' HG13 ' A' ' 112' ' ' ILE . . . -83.37 -28.99 34.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 111.066 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.685 ' HB3' HD13 ' A' ' 23' ' ' LEU . 1.2 m -79.53 -45.62 18.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.543 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . . . -53.98 -48.2 70.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.566 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -65.25 -34.51 71.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.91 -49.01 76.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' THR . 0.4 OUTLIER -67.13 -18.84 65.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.331 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.831 HD22 ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -52.47 -36.34 54.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.647 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.98 -12.38 60.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -14.26 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.666 ' O ' HG22 ' A' ' 61' ' ' VAL . 6.4 tptt -113.2 95.98 5.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 70' ' ' HIS . 0.8 OUTLIER -61.65 -16.63 50.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.373 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -68.68 -22.11 64.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.4 m -83.0 -40.66 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.708 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -80.9 -44.44 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 4.1 p30 -121.55 103.71 40.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -43.05 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.404 1.739 . . . . 0.0 110.98 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -112.44 1.86 16.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.76 38.89 2.28 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.438 1.086 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.41 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 56.6 t30 -57.05 -33.95 67.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.934 HD22 ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -162.87 -178.02 5.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.934 ' N ' HD22 ' A' ' 68' ' ' LEU . 8.8 m-70 -151.97 120.53 6.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.584 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.779 ' HB2' HD11 ' A' ' 59' ' ' LEU . 44.3 t60 -47.29 139.05 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.73 -44.73 2.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -125.85 82.68 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.35 130.62 44.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.394 1.059 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 170.67 1.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.535 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 5.8 m-20 -70.73 -2.91 16.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -89.16 -46.74 8.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 111.075 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.556 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -62.79 -58.2 8.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.535 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -78.3 41.22 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 111.011 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.498 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -154.06 -52.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.556 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -68.61 -5.95 22.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.68 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -156.89 29.27 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.68 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.6 137.8 48.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.156 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.94 142.27 43.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 109.234 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -46.08 -33.28 3.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.4 1.062 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.2 t -77.23 -43.38 33.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.68 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -55.69 -25.13 38.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -62.79 -51.37 67.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.383 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.448 ' OE1' ' NE2' ' A' ' 89' ' ' GLN . 1.2 tt0 -81.67 -47.78 12.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.615 1.197 . . . . 0.0 110.262 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 50.5 mm-40 -42.99 -61.23 1.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.919 HD21 ' CD1' ' A' ' 118' ' ' PHE . 10.3 mp -48.41 -45.56 36.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.1 t -52.92 -19.52 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 7.8 m-20 -73.33 -68.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.9 -47.2 83.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 109.211 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.665 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -51.95 -25.08 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.368 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 0.5 OUTLIER -76.06 -31.38 58.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.588 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' C ' HG21 ' A' ' 142' ' ' VAL . . . -88.31 -23.79 36.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -87.95 -63.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.66 -33.74 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.355 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.421 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 0.0 OUTLIER -73.81 -31.06 63.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.59 -8.48 34.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.032 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.3 80.42 12.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.88 173.87 13.72 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.502 1.791 . . . . 0.0 111.065 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 43.23 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.559 1.82 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' A' ' 102' ' ' PRO . 10.4 t-20 -61.13 150.11 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 107' ' ' LYS . 6.3 m-20 -55.12 -21.88 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' MET . 4.9 m-20 -83.84 29.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 105' ' ' ASP . 17.6 mtmt -40.8 -29.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 106' ' ' ASP . 4.7 t -55.17 -49.43 71.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 108.284 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -102.24 -4.51 25.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -90.2 -79.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.0 m -47.0 -44.36 20.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.749 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.2 -45.0 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.228 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 1.3 t70 -44.99 -45.83 10.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -74.7 -54.29 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.87 -20.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.658 ' CE ' ' CZ2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -103.52 -35.72 8.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 2.4 t -43.57 -53.92 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.354 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.919 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -65.97 -36.64 83.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -30.71 70.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.593 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.1 OUTLIER -63.99 -33.77 76.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 7.5 mm-40 -58.94 -30.07 67.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.625 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.8 mm -81.64 -36.42 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -47.23 -20.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.551 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -96.51 27.13 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.229 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.794 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.8 -95.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.626 ' H ' HD13 ' A' ' 125' ' ' LEU . 9.4 t-20 -99.02 -2.17 37.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.767 ' CD2' HD11 ' A' ' 125' ' ' LEU . 2.1 m0 -88.99 156.46 18.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 6.8 m -85.21 118.95 71.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.38 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.427 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.5 Cg_endo -75.0 50.34 2.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -43.46 -27.02 0.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.427 ' N ' ' C ' ' A' ' 129' ' ' PRO . 2.1 ttm -94.2 100.67 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.33 125.01 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.226 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -45.58 113.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 135' ' ' ILE . 4.9 p -115.82 -13.36 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.563 HD13 HG12 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -106.35 -21.06 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.773 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 69.11 31.52 72.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 111.05 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.6 174.75 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 0.815 . . . . 0.0 110.298 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 138' ' ' VAL . 16.4 m -69.66 100.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 173.33 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.168 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.448 ' CB ' ' HA ' ' A' ' 133' ' ' LEU . . . -111.03 166.16 11.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.63 90.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 97' ' ' CYS . 12.5 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.48 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 1' ' ' SER . 18.3 Cg_endo -74.9 -165.46 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -54.38 -25.89 27.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 110.254 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.546 ' N ' HD13 ' A' ' 4' ' ' ILE . 3.4 mm -56.42 -38.41 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.387 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.404 ' HB2' ' H2 ' ' A' ' 1' ' ' SER . 6.5 ttp -98.44 -5.99 31.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.48 105.41 11.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.368 1.043 . . . . 0.0 109.239 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -119.69 138.7 53.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.794 HD12 ' N ' ' A' ' 9' ' ' SER . 3.2 pp -71.81 -167.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.794 ' N ' HD12 ' A' ' 8' ' ' LEU . 6.4 t -48.94 -100.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.04 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.593 ' O ' ' N ' ' A' ' 12' ' ' PHE . 4.0 m-20 -125.55 -34.98 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.612 ' ND2' HD13 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -28.72 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.678 ' CD2' ' CE ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -108.43 -64.17 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.94 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.84 -38.37 4.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.419 1.075 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -51.41 20.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -55.57 -42.08 74.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.678 ' CE ' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.16 -49.1 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.058 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -66.52 -41.13 89.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 14.6 mt-30 -69.22 -40.95 77.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.483 ' O ' HD12 ' A' ' 25' ' ' LEU . 2.2 m -60.64 -37.99 83.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.338 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -67.92 -5.17 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.623 1.202 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.99 -69.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -45.25 -44.71 11.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.496 ' HB2' HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -98.69 -11.68 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 51.54 18.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 110.055 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.695 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -84.04 167.94 24.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.983 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -75.05 120.36 6.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.398 1.736 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' HB2' ' CD ' ' A' ' 20' ' ' LYS . 5.4 t0 -67.22 -2.59 6.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 26' ' ' PRO . 15.3 p -81.54 -39.9 23.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.983 HG22 ' O ' ' A' ' 26' ' ' PRO . 32.2 m -62.94 -36.02 73.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 p -78.87 -31.45 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.587 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . -69.83 -17.27 63.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.568 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 54.9 t0 -77.06 -32.85 57.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.444 HD23 ' NE1' ' A' ' 37' ' ' TRP . 9.8 mt -50.77 -39.54 52.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.587 ' CE2' ' HA ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -74.5 -20.83 59.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -67.39 -73.45 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.367 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 161.08 28.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.599 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -95.33 26.5 3.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.008 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.606 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 27.7 mttm -43.46 -53.05 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.579 ' CG ' ' CE1' ' A' ' 123' ' ' HIS . 53.5 t0 -47.08 -35.72 7.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.599 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 20.8 t0 -89.07 76.91 7.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.606 ' CD2' ' O ' ' A' ' 38' ' ' LYS . 6.5 m-85 -97.33 -169.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' TYR . 30.9 m -32.53 -36.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -39.5 -27.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -119.68 -49.6 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.457 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.04 98.46 5.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -61.93 -40.42 95.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.249 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.644 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.26 -43.76 22.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.229 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.68 -31.84 62.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.492 ' HA3' ' CG1' ' A' ' 42' ' ' VAL . . . -82.19 -29.49 37.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.522 1.139 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.2 -45.32 20.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.461 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -56.63 -47.65 79.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.634 1.209 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -61.45 -39.17 81.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.451 ' CG ' ' CE1' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -59.63 -46.07 90.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -67.24 -20.44 65.67 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.552 1.158 . . . . 0.0 108.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.654 HD11 ' CD1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -53.56 -34.84 59.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.883 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -72.74 -12.0 60.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.12 -60.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.654 ' O ' HG22 ' A' ' 61' ' ' VAL . 4.3 mmtt -111.43 104.94 13.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.178 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 56' ' ' ALA . 3.2 mt -71.5 -23.07 61.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.26 -34.41 76.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 58' ' ' LYS . 30.7 m -88.67 -39.43 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.44 -44.06 94.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.441 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -128.53 104.42 19.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -42.23 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.542 1.812 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.07 4.08 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 97.95 45.72 2.38 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -51.02 -41.24 59.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.354 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.011 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -171.01 -174.21 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.534 ' N ' HD13 ' A' ' 68' ' ' LEU . 68.1 m80 -146.44 120.97 9.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.591 1.182 . . . . 0.0 109.615 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.477 ' HB2' ' CB ' ' A' ' 56' ' ' ALA . 10.0 t-160 -44.86 139.79 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.6 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 -45.75 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.088 . . . . 0.0 111.074 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 2.1 t30 -125.03 77.18 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.605 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -62.49 131.57 49.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -60.73 171.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.518 ' C ' ' HE1' ' A' ' 78' ' ' MET . 39.4 m-20 -71.72 1.55 6.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.405 ' H ' ' C ' ' A' ' 74' ' ' LYS . 4.6 m-85 -102.61 -29.42 11.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.651 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -56.02 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.595 1.184 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.773 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.41 42.48 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 111.086 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -140.91 -50.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.088 . . . . 0.0 109.357 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -69.25 -5.39 22.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 0.0 109.567 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.59 22.92 1.5 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.435 1.084 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -133.44 157.92 44.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -90.47 148.89 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -42.83 -29.66 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -67.6 -37.86 83.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.45 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.593 ' HE3' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -49.29 -38.4 27.16 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 0.0 110.964 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.46 ' N ' ' SD ' ' A' ' 86' ' ' MET . . . -47.5 -47.24 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.676 ' NE2' ' C ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -93.74 -51.98 4.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.401 1.063 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.564 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.3 mt-30 -39.14 -56.39 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.675 HD11 ' CD1' ' A' ' 118' ' ' PHE . 6.6 mp -47.54 -48.39 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.232 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.567 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 3.2 t -53.32 -14.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 31.9 t0 -79.41 -69.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.731 HG21 ' OE2' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -67.21 -47.53 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.653 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -51.7 -24.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.32 -32.41 58.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.667 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.477 ' HA2' ' CE ' ' A' ' 99' ' ' LYS . . . -90.13 -24.12 30.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.6 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -88.53 -63.15 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 4.9 tt0 -45.12 -34.81 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.383 1.052 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.477 ' CE ' ' HA2' ' A' ' 96' ' ' GLY . 0.6 OUTLIER -73.81 -30.14 62.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.45 -7.92 33.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -116.9 80.87 11.52 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.453 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.5 Cg_endo -74.97 174.07 13.41 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.433 1.754 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 41.0 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.556 1.819 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.453 ' H ' ' C ' ' A' ' 102' ' ' PRO . 6.2 t-20 -62.3 146.64 50.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.389 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 107' ' ' LYS . 83.3 m-20 -55.47 -21.72 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.5 OUTLIER -83.88 29.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 105' ' ' ASP . 2.3 ptmt -40.34 -29.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.452 ' N ' ' C ' ' A' ' 106' ' ' ASP . 5.8 t -51.46 -47.81 63.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.9 ptt? -102.22 -6.98 22.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.075 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -90.03 -79.62 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.0 m -45.36 -44.68 11.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.767 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.41 -44.44 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 6.4 t0 -45.74 -47.74 15.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.595 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -75.08 -56.63 8.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.362 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -47.67 -21.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.538 ' HG3' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -102.14 -35.81 8.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.413 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 1.9 t -45.39 -54.92 6.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.393 1.058 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.675 ' CD1' HD11 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -64.34 -36.04 82.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 110.942 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -62.09 -30.31 70.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.055 . . . . 0.0 109.36 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -63.07 -27.58 69.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.731 ' OE2' HG21 ' A' ' 93' ' ' ILE . 48.4 mm-40 -58.18 -27.8 64.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.676 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.4 mm -80.44 -41.83 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.613 1.196 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.579 ' CE1' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -47.1 -22.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.577 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -97.19 28.92 3.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.848 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.16 -93.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.617 ' H ' HD13 ' A' ' 125' ' ' LEU . 11.3 t-20 -112.37 -3.83 14.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.848 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -90.79 153.39 20.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 108.014 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.7 p -91.86 117.87 67.97 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.515 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.0 Cg_endo -75.1 50.31 2.52 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.64 -32.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 129' ' ' PRO . 1.5 ttt -97.34 101.62 13.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.408 1.067 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.481 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.8 OUTLIER -126.9 95.36 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.811 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -174.98 133.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.432 ' HB ' HD13 ' A' ' 135' ' ' ILE . 51.3 t -115.36 -58.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.5 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.13 -5.52 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.48 30.93 23.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -125.69 175.24 7.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 110.349 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.519 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -68.22 112.2 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.447 HD11 ' O ' ' A' ' 96' ' ' GLY . 0.4 OUTLIER -176.71 -50.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 132' ' ' ASP . . . -78.95 165.08 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.83 84.39 0.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.484 ' HG2' ' CD1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -54.98 -24.82 25.92 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.59 1.181 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.524 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 4.8 mm -56.48 -37.36 51.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.67 -7.83 39.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -110.11 106.02 15.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -118.94 139.67 51.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -70.18 -169.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 8' ' ' LEU . 28.9 t -49.32 -101.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.052 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.619 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -123.77 -31.15 3.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.588 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -29.54 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.787 ' HA ' HD21 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -108.22 -67.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.961 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.15 -34.23 2.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 34.8 ttpt -77.26 -55.72 5.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 0.773 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.917 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -59.49 -43.65 93.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 109.375 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.634 ' CE ' HD23 ' A' ' 55' ' ' LEU . 30.3 mmt -62.21 -38.76 90.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.051 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.45 -40.9 85.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.092 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.9 mt-30 -72.56 -39.92 67.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.515 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 96.8 m -63.32 -34.77 78.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 108.356 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -68.25 -7.27 29.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.94 -68.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.515 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -46.04 -42.58 13.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.547 ' HB2' HD12 ' A' ' 25' ' ' LEU . 3.0 mt -98.33 -12.85 21.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.498 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 2.8 m 53.29 16.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.616 1.198 . . . . 0.0 109.989 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.756 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -84.08 165.91 36.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.368 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.972 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.6 Cg_endo -74.92 121.49 6.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.603 1.844 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 31.8 p-10 -69.2 -1.18 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.396 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -83.28 -39.7 20.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.972 HG22 ' O ' ' A' ' 26' ' ' PRO . 26.9 m -61.16 -36.31 71.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.589 HG11 ' SD ' ' A' ' 16' ' ' MET . 11.0 p -77.13 -32.88 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.524 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -75.67 -28.27 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -70.43 -18.45 63.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.95 HD21 ' HB1' ' A' ' 48' ' ' ALA . 20.6 mt -57.36 -49.79 75.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.484 ' CD1' ' HG2' ' A' ' 3' ' ' GLU . 1.7 m-85 -51.34 -26.45 7.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 110.976 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.566 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 17.0 t30 -69.22 -58.06 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 14.0 m-85 -170.88 80.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.798 ' CD2' HD22 ' A' ' 33' ' ' LEU . 4.4 t90 -89.11 15.78 8.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.482 ' HB3' ' CA ' ' A' ' 123' ' ' HIS . 1.8 mptt -76.32 -64.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.4 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.635 ' HA ' ' CD2' ' A' ' 123' ' ' HIS . 59.6 t0 -73.38 -36.03 66.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.241 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -69.31 101.74 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.522 ' CD2' ' HB2' ' A' ' 43' ' ' MET . 6.3 t80 -102.92 148.44 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 46' ' ' ARG . 1.7 t -40.54 -28.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.522 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -48.6 -19.97 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.91 -48.64 2.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -127.64 95.17 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.535 ' HA ' HG22 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -77.1 -41.84 40.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.676 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -46.5 -44.4 17.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.95 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -57.13 -33.77 67.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.482 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -77.33 -22.71 69.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -87.46 -40.74 14.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.564 ' O ' ' SG ' ' A' ' 54' ' ' CYS . . . -56.86 -48.14 78.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.217 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.491 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -66.24 -36.04 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -49.3 76.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.97 ' O ' HG23 ' A' ' 57' ' ' THR . 3.2 p -70.5 -31.75 68.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.172 . . . . 0.0 108.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.917 HD22 ' HB3' ' A' ' 15' ' ' ALA . 1.5 tm? -40.97 -28.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.72 ' HB1' ' CD1' ' A' ' 59' ' ' LEU . . . -62.67 -11.76 19.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.97 HG23 ' O ' ' A' ' 54' ' ' CYS . 25.4 p -14.08 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.623 ' O ' HG22 ' A' ' 61' ' ' VAL . 10.9 mmtm -114.61 94.69 4.89 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.572 1.17 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.72 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 1.1 mp -59.38 -15.77 18.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -68.62 -24.22 64.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.6 m -79.78 -41.15 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.641 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.73 -45.68 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 59' ' ' LEU . 5.4 p-10 -123.48 105.41 33.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -42.76 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.55 1.816 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.01 3.56 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.41 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 101.82 39.91 2.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.448 ' ND2' ' NE2' ' A' ' 80' ' ' HIS . 22.6 t-20 -52.25 -37.11 54.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 0.782 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.009 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.83 -174.83 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.699 ' CD2' HD23 ' A' ' 59' ' ' LEU . 33.6 m80 -146.93 112.91 5.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.405 1.066 . . . . 0.0 109.654 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' HIS . 2.4 t60 -39.05 140.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.522 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.02 -45.1 3.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -130.03 80.24 1.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.741 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -59.52 131.39 50.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 170.33 1.54 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.471 ' O ' ' CE ' ' A' ' 78' ' ' MET . 10.8 m-20 -72.29 0.5 9.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -101.05 -30.12 11.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.785 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -58.91 -76.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.731 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -73.99 43.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.518 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.1 OUTLIER -142.31 -54.61 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.448 ' NE2' ' ND2' ' A' ' 67' ' ' ASN . 0.2 OUTLIER -71.14 -5.21 29.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.628 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.82 44.06 0.57 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.821 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.84 134.19 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' A' ' 86' ' ' MET . 4.2 m-20 -74.86 144.6 43.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.411 1.07 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -44.85 -33.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.2 t -77.31 -43.81 31.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.822 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -55.34 -23.06 21.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.438 ' HA ' ' CE ' ' A' ' 86' ' ' MET . . . -60.44 -52.7 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.6 -44.93 8.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.193 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 62.3 mm-40 -41.71 -62.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.853 HD21 ' CE1' ' A' ' 118' ' ' PHE . 10.8 mp -49.15 -44.84 43.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -54.85 -17.67 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 0.0 109.322 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 32.4 t0 -75.09 -68.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.72 HG21 ' CD ' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -67.19 -47.25 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.604 1.19 . . . . 0.0 109.359 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.666 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.61 -24.86 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 0.2 OUTLIER -75.89 -30.58 58.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.16 -24.31 34.88 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.598 1.186 . . . . 0.0 111.005 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.7 OUTLIER -90.28 -61.01 1.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 8.9 tm-20 -45.81 -33.52 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -73.42 -31.0 63.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.8 -8.75 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.056 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.619 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -117.77 79.01 12.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.423 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.0 172.1 17.04 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 43.95 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 102' ' ' PRO . 5.6 t-20 -60.61 150.34 32.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 107' ' ' LYS . 1.5 m-20 -52.5 -29.32 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.9 OUTLIER -83.57 29.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.238 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 105' ' ' ASP . 4.8 pttt -40.71 -29.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.432 ' N ' ' C ' ' A' ' 106' ' ' ASP . 13.0 t -51.45 -46.61 63.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 108.274 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 18.4 ttt -101.45 -7.76 22.57 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -89.74 -79.11 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.253 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 114' ' ' VAL . 6.5 m -44.75 -44.74 9.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.347 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.774 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.5 -44.39 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 0.6 OUTLIER -44.64 -43.47 8.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.102 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.619 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -75.25 -54.61 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.95 -20.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.699 ' HE2' ' CG ' ' A' ' 37' ' ' TRP . 3.2 tpt -101.54 -35.78 9.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 2.5 t -46.9 -51.55 16.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 108.258 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.853 ' CE1' HD21 ' A' ' 90' ' ' LEU . 3.1 t80 -65.58 -33.48 76.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -70.84 -30.38 66.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -67.98 -36.65 80.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.355 1.035 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.72 ' CD ' HG21 ' A' ' 93' ' ' ILE . 53.9 mm-40 -55.72 -27.7 51.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' A' ' 125' ' ' LEU . 3.5 mm -66.3 -36.64 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.635 ' CD2' ' HA ' ' A' ' 39' ' ' ASP . 1.7 t60 -45.29 -19.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.69 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.485 ' N ' ' C ' ' A' ' 122' ' ' ILE . 29.3 mtmt -93.36 25.51 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.743 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -51.97 -100.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.635 ' H ' HD13 ' A' ' 125' ' ' LEU . 25.1 t30 -94.92 -31.58 13.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.61 ' H ' HD13 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -98.89 134.39 41.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.494 1.121 . . . . 0.0 108.003 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 68.5 t -105.6 116.76 59.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.355 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.635 ' HG3' ' CD2' ' A' ' 123' ' ' HIS . 18.2 Cg_endo -75.04 49.89 2.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.542 1.812 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -43.04 -35.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.3 ttt -105.71 108.82 20.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -120.03 124.55 46.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.876 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -41.49 114.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.507 HG12 HD13 ' A' ' 135' ' ' ILE . 7.3 p -116.08 -10.6 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.524 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.92 -21.02 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.781 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 76.73 31.86 52.33 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -132.13 171.34 13.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 0.755 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 138' ' ' VAL . 15.7 m -64.81 115.88 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 172.92 -54.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.68 164.48 23.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -70.62 85.14 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.506 HG21 ' HB3' ' A' ' 133' ' ' LEU . 76.5 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.2 p . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -164.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 5.6 mm-40 -54.37 -25.16 22.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.511 HG23 ' HB1' ' A' ' 31' ' ' ALA . 4.5 mm -57.47 -37.5 58.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -5.22 26.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.5 104.18 8.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -123.58 142.08 51.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.012 HD12 ' HB3' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -58.86 171.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.748 ' H ' HD13 ' A' ' 8' ' ' LEU . 58.7 m -47.67 -85.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 12' ' ' PHE . 82.3 m-20 -120.98 -38.74 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 1.012 ' HB3' HD12 ' A' ' 8' ' ' LEU . 2.1 t30 -33.8 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.56 ' CD1' HD21 ' A' ' 55' ' ' LEU . 9.2 m-85 -115.39 -68.64 0.91 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.95 -35.33 0.94 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 3.7 tmmm? -81.99 -51.77 7.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 0.757 . . . . 0.0 109.369 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.733 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -56.93 -43.72 81.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.58 1.175 . . . . 0.0 109.229 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.534 ' SD ' ' CG2' ' A' ' 30' ' ' VAL . 18.4 mmt -67.58 -42.15 83.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -68.53 -46.96 68.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.06 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 11.8 mt-30 -65.23 -37.67 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.49 ' HB3' HD12 ' A' ' 23' ' ' LEU . 7.6 m -61.74 -37.92 86.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 108.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -66.97 -6.88 18.58 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.368 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.86 -69.06 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 0.7 OUTLIER -48.39 -41.95 30.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 19' ' ' CYS . 2.7 mt -98.48 -11.62 22.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 50.64 16.56 0.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.769 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.27 169.97 15.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.826 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.4 Cg_endo -74.89 121.6 6.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 0.0 111.053 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.601 ' O ' HG22 ' A' ' 30' ' ' VAL . 9.8 t70 -68.43 0.13 4.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 26' ' ' PRO . 32.2 p -79.99 -42.12 24.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 26' ' ' PRO . 34.1 m -65.13 -35.39 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 27' ' ' ASP . 2.8 m -72.97 -40.36 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -68.88 -19.45 64.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.567 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 66.0 t0 -70.33 -33.83 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.48 ' N ' ' HE1' ' A' ' 37' ' ' TRP . 12.1 mt -53.25 -33.25 52.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -73.61 -22.05 60.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -68.81 -73.14 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.536 ' CB ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 160.14 28.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 1.195 . . . . 0.0 110.985 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -95.04 25.43 4.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.618 ' O ' ' CE2' ' A' ' 41' ' ' TYR . 5.3 mttp -45.02 -52.41 8.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.54 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 2.9 p-10 -46.57 -33.0 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.601 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 10.2 t0 -83.61 85.75 7.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 38' ' ' LYS . 96.7 m-85 -99.53 -169.99 1.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.761 HG22 ' HA ' ' A' ' 46' ' ' ARG . 24.4 t -33.76 -35.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.243 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -38.94 -27.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -117.69 -53.46 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -128.41 110.83 12.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.761 ' HA ' HG22 ' A' ' 42' ' ' VAL . 1.8 tmm_? -70.0 -41.48 74.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.65 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.72 -44.06 27.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.244 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.17 70.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.517 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -80.62 -31.58 36.26 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.16 -45.83 17.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -55.11 -47.08 75.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -56.87 -38.94 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -44.36 96.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.618 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -63.12 -21.27 66.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.591 1.182 . . . . 0.0 108.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.733 HD22 ' HB3' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -52.97 -35.42 58.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.882 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -74.95 -12.53 60.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.65 -60.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.653 ' O ' HG22 ' A' ' 61' ' ' VAL . 33.8 mmtt -111.92 95.53 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.882 HD23 ' O ' ' A' ' 56' ' ' ALA . 8.6 mt -60.39 -15.54 27.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.34 -23.24 62.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.219 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.4 m -81.77 -41.83 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.634 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.89 -46.66 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 p30 -123.32 106.26 33.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -41.36 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.54 -0.79 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 104.92 41.54 1.95 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.665 ' OD1' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -52.01 -35.49 46.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.975 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -168.94 -174.52 2.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.493 ' N ' HD13 ' A' ' 68' ' ' LEU . 40.9 m-70 -146.02 118.83 8.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.19 . . . . 0.0 109.585 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.508 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 11.4 t60 -43.87 141.76 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.83 -45.35 3.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -128.24 79.52 1.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 0.747 . . . . 0.0 109.346 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -64.32 131.02 46.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.8 172.19 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.51 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 42.8 m-20 -70.27 -0.72 8.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 26.5 m-85 -88.87 -45.02 10.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.609 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -66.31 -58.79 4.59 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.545 ' CE ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -75.83 41.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 1.2 ttmm -143.92 -57.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.609 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -70.36 -4.75 23.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.618 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.62 41.32 0.75 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.438 1.086 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.756 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.25 133.66 45.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.8 OUTLIER -80.23 139.7 36.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -40.81 -32.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.287 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.405 ' OG1' ' HG3' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -76.8 -43.28 37.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.408 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.756 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.11 -28.82 41.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.485 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -53.59 -51.55 62.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.6 -43.27 8.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.9 mt-30 -46.0 -59.69 2.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.769 HD11 ' CE1' ' A' ' 118' ' ' PHE . 10.1 mt -46.29 -44.39 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.583 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.6 t -56.28 -15.6 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 89' ' ' GLN . 5.1 m-20 -76.72 -71.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.702 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -62.64 -47.19 94.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.617 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.54 -26.91 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.9 m170 -76.25 -30.46 57.88 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.534 1.146 . . . . 0.0 109.659 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.38 -23.72 36.19 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.543 1.152 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 101' ' ' ALA . 2.7 m -90.1 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 1.7 tt0 -45.57 -35.31 3.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.245 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -73.01 -30.5 63.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.609 1.193 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.41 -6.58 40.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.94 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.571 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -115.47 82.7 9.96 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.582 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.91 176.28 10.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 44.45 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' A' ' 102' ' ' PRO . 1.2 t-20 -63.69 142.3 58.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' ' 107' ' ' LYS . 31.0 m-20 -56.54 -19.87 17.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.8 OUTLIER -82.18 32.71 0.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' H ' ' C ' ' A' ' 105' ' ' ASP . 11.3 pttt -40.3 -28.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.474 ' N ' ' C ' ' A' ' 106' ' ' ASP . 33.4 t -61.64 -52.45 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 108.294 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -90.85 -13.51 33.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.582 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.3 OUTLIER -89.4 -69.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 8.2 m -42.92 -44.99 4.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.675 ' HA ' ' HB3' ' A' ' 115' ' ' ALA . 0.0 OUTLIER -48.08 -48.09 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 116' ' ' MET . 2.6 t70 -40.55 -48.81 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.235 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.571 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -84.73 -49.55 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -45.08 -25.75 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.584 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -105.16 -33.14 8.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.133 . . . . 0.0 110.982 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 17.5 t -39.54 -55.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.769 ' CE1' HD11 ' A' ' 90' ' ' LEU . 1.2 t80 -65.65 -42.26 91.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.555 ' HA ' HD13 ' A' ' 122' ' ' ILE . 19.4 mttp -59.3 -29.95 67.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 41' ' ' TYR . 5.3 mttp -60.65 -28.6 68.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 124' ' ' LYS . 8.0 mm-40 -59.59 -28.9 67.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.782 ' N ' HD12 ' A' ' 122' ' ' ILE . 2.2 mp -82.25 -42.26 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -48.06 -21.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.4 OUTLIER -98.87 25.94 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.923 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.0 OUTLIER -41.93 -95.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.691 ' H ' HD13 ' A' ' 125' ' ' LEU . 7.5 m120 -104.58 -3.31 23.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.923 ' CD2' HD11 ' A' ' 125' ' ' LEU . 1.3 m0 -90.26 154.39 19.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.8 m -92.6 121.06 66.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.435 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.2 Cg_endo -75.02 51.98 2.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.571 1.827 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' PRO . 13.6 t-20 -38.81 -31.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.17 . . . . 0.0 109.367 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.435 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.6 OUTLIER -98.04 99.97 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.899 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 8.0 m-20 -127.98 96.47 4.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.852 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -171.68 125.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.524 ' HB ' HD13 ' A' ' 135' ' ' ILE . 90.4 t -114.57 -60.18 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.39 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.524 HD13 ' HB ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -105.36 -11.26 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.3 26.7 35.52 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.91 174.78 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.539 ' O ' HD23 ' A' ' 139' ' ' LEU . 0.5 OUTLIER -75.4 114.32 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER 174.34 -70.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.899 ' HB1' ' HB3' ' A' ' 132' ' ' ASP . . . -78.99 165.19 23.72 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.454 1.097 . . . . 0.0 109.238 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.413 ' N ' ' HB3' ' A' ' 132' ' ' ASP . 4.2 mt-10 -69.42 87.07 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 -179.94 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.495 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 1' ' ' SER . 18.3 Cg_endo -74.98 -166.51 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.541 ' OE2' ' CZ ' ' A' ' 34' ' ' TYR . 5.9 mm-40 -55.56 -25.29 37.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.605 HD11 ' OD1' ' A' ' 35' ' ' ASN . 4.9 mm -53.79 -39.83 41.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 ttm -94.51 -11.85 28.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -109.65 105.63 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.213 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -119.53 145.98 45.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 109.384 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.967 HD12 ' HB3' ' A' ' 11' ' ' ASN . 0.8 OUTLIER -60.08 171.05 1.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.778 ' H ' HD13 ' A' ' 8' ' ' LEU . 42.7 t -47.13 -80.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.455 1.097 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 12' ' ' PHE . 71.6 m-20 -121.36 -39.01 2.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.967 ' HB3' HD12 ' A' ' 8' ' ' LEU . 2.2 t30 -34.36 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.64 ' CD1' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -115.1 -66.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.6 -34.8 1.85 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 24.7 ttpp -80.44 -53.96 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.802 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -57.67 -40.98 80.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.44 -48.11 76.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.1 -39.96 86.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 15.3 mt-30 -70.4 -42.64 71.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.507 ' O ' HD12 ' A' ' 25' ' ' LEU . 4.3 m -62.08 -40.41 95.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.217 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.587 ' O ' ' HA ' ' A' ' 24' ' ' SER . 1.1 ttpm? -66.48 -4.52 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.83 -69.6 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -46.71 -44.51 18.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -99.34 -11.15 21.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 50.22 18.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -81.89 168.46 23.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.361 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.899 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.4 Cg_endo -75.02 119.22 5.55 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.5 1.789 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.54 ' HA ' HG22 ' A' ' 30' ' ' VAL . 24.7 p-10 -67.05 0.35 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 26' ' ' PRO . 6.8 p -81.3 -40.76 23.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.4 m -64.76 -37.0 79.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.565 HG11 ' CB ' ' A' ' 51' ' ' ALA . 34.9 m -77.53 -31.13 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -65.34 -17.49 64.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.422 ' HA ' ' HB2' ' A' ' 35' ' ' ASN . 11.7 t0 -81.02 -19.4 43.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.692 ' CD2' ' CH2' ' A' ' 37' ' ' TRP . 13.3 mt -50.34 -50.95 49.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.541 ' CZ ' ' OE2' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -67.87 -21.88 65.14 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 0.0 110.927 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.605 ' OD1' HD11 ' A' ' 4' ' ' ILE . 0.8 OUTLIER -74.29 -73.2 0.24 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 0.4 OUTLIER 158.8 48.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 111.081 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.692 ' CH2' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.35 16.65 9.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 108.044 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -44.61 -55.53 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -51.68 -35.63 43.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.567 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 19.5 t0 -76.09 56.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.219 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.665 ' CD1' ' HB2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -57.46 173.2 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 111.093 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.838 HG22 ' HA ' ' A' ' 46' ' ' ARG . 2.2 t -43.18 -36.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.665 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 14.5 mtp -39.37 -27.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.3 m -108.13 -52.61 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.31 98.04 4.59 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.838 ' HA ' HG22 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -67.75 -32.34 72.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.849 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -55.23 -44.28 75.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.173 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.433 ' HA ' HG12 ' A' ' 30' ' ' VAL . . . -60.32 -32.07 70.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.667 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -80.71 -31.23 36.91 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.511 1.132 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.01 -44.39 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.565 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -59.58 -49.16 78.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.667 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -50.15 -36.49 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.533 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -62.77 -43.58 98.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.64 ' O ' HG22 ' A' ' 57' ' ' THR . 0.4 OUTLIER -64.83 -28.63 69.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 108.356 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -53.46 -33.23 53.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.61 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.41 -13.21 60.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -18.08 -59.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.472 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 61' ' ' VAL . 44.0 mmtt -112.54 94.5 4.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.69 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -61.63 -16.09 45.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -22.56 63.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.3 m -82.99 -41.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.69 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.12 -45.05 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 4.4 p30 -122.31 103.02 39.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.17 -42.13 0.53 Allowed 'Trans proline' 0 C--N 1.362 1.262 0 O-C-N 124.455 1.766 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -111.74 0.54 16.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.66 41.38 1.87 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 14.4 t-20 -53.44 -37.31 62.48 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 0.738 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.044 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -171.94 -176.74 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.659 ' CD2' HD23 ' A' ' 59' ' ' LEU . 49.4 m80 -146.15 118.29 8.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.54 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.533 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 10.2 t-80 -42.46 140.55 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.65 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.33 -45.24 3.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.582 1.176 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -127.82 82.19 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.595 0.821 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.75 130.37 43.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.15 172.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.565 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.5 OUTLIER -70.17 -1.41 10.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -86.3 -45.48 11.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.506 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . . . -67.62 -58.43 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.565 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -75.5 41.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.918 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.478 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 2.7 tttp -148.99 -55.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -69.43 -5.59 24.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.556 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -155.59 43.81 0.55 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.781 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.16 133.7 46.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 109.205 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 86' ' ' MET . 4.6 m-20 -81.51 141.35 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -31.21 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 2.2 t -75.51 -43.7 47.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.614 1.196 . . . . 0.0 110.475 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.781 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.23 -26.96 31.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 111.018 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.476 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -53.67 -55.83 22.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -94.01 -43.2 8.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 62.7 mm-40 -44.1 -60.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.723 ' O ' HD13 ' A' ' 93' ' ' ILE . 15.7 mt -46.58 -43.4 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.577 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.9 t -57.05 -15.9 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 3.7 m-20 -76.84 -71.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.723 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -60.91 -47.0 95.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.618 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.76 -28.5 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 2.5 m170 -76.38 -29.68 57.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.585 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.421 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -87.73 -24.24 36.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -89.37 -61.94 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.5 OUTLIER -45.76 -34.07 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.96 -30.57 61.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.358 1.036 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.532 ' OG ' HG21 ' A' ' 138' ' ' VAL . 0.2 OUTLIER -94.86 -6.83 41.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.39 83.56 10.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.59 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.6 Cg_endo -75.01 176.8 9.44 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.6 Cg_endo -75.02 46.74 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.529 1.805 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.412 ' OD1' ' HG2' ' A' ' 102' ' ' PRO . 27.9 m120 -63.76 142.12 58.52 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.7 OUTLIER -56.95 -18.79 14.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -81.72 32.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.489 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 19.0 ptmt -41.13 -25.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.473 ' N ' ' O ' ' A' ' 106' ' ' ASP . 25.0 t -61.52 -50.74 71.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 108.3 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.7 ttp -102.6 -4.9 24.51 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.59 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -89.1 -69.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.419 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 6.0 m -52.51 -42.5 64.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.685 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.26 -46.57 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.181 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 116' ' ' MET . 1.2 t0 -42.84 -45.41 4.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.567 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -79.24 -48.91 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -51.85 -20.23 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.483 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 8.2 ptt? -104.93 -27.73 11.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 116' ' ' MET . 6.9 t -48.98 -55.3 12.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 108.297 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.712 ' CE1' HD11 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -64.91 -43.78 91.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 0.0 110.975 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -59.83 -29.21 68.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.391 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -59.85 -33.32 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -59.01 -29.41 67.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.68 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.4 mm -76.71 -37.53 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.459 ' CE1' ' HB3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -47.9 -18.77 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.513 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.471 ' N ' ' C ' ' A' ' 122' ' ' ILE . 5.5 mttp -96.52 26.23 4.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.876 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -44.81 -95.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.642 ' H ' HD13 ' A' ' 125' ' ' LEU . 7.7 m120 -103.32 -4.0 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.876 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.8 OUTLIER -91.0 153.88 19.84 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.24 118.29 59.32 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.47 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.2 Cg_endo -75.05 51.63 2.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.57 1.826 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -43.1 -26.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.45 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -92.99 100.87 13.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.502 ' O ' ' C ' ' A' ' 133' ' ' LEU . 1.0 OUTLIER -128.75 126.47 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.891 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -31.98 117.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.4 ' H ' HD13 ' A' ' 135' ' ' ILE . 7.7 p -115.43 7.7 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.385 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.519 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -97.93 -10.2 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.634 1.209 . . . . 0.0 109.342 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.99 33.39 18.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.474 ' H ' HD23 ' A' ' 133' ' ' LEU . 1.5 tt0 -107.27 134.23 50.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 0.787 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.532 HG21 ' OG ' ' A' ' 100' ' ' SER . 14.7 m -66.82 121.13 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.3 mt 173.01 -68.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.398 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.629 ' HB3' HD12 ' A' ' 133' ' ' LEU . . . -83.4 165.93 18.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 142' ' ' VAL . 0.7 OUTLIER -74.24 90.28 2.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 110.231 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.454 ' CA ' HD11 ' A' ' 133' ' ' LEU . 25.0 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.83 -165.06 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.416 1.745 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.24 -25.5 33.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.545 HD12 ' HB1' ' A' ' 31' ' ' ALA . 5.7 mm -53.96 -36.9 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.355 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.0 ptm -54.17 -30.22 48.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.73 105.78 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.576 1.172 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -119.89 138.92 53.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.344 1.028 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.824 HD11 ' HB2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.87 -167.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t -59.43 -102.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.015 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.612 ' O ' ' N ' ' A' ' 12' ' ' PHE . 1.9 m-20 -125.24 -27.97 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.54 ' C ' ' O ' ' A' ' 10' ' ' ASN . 4.6 m-20 -27.63 -39.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.157 . . . . 0.0 109.28 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.824 ' HB2' HD11 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -106.9 -64.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 111.028 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.36 -33.58 1.42 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -75.3 -54.59 6.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 0.803 . . . . 0.0 109.286 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.732 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -60.33 -43.76 96.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.727 ' SD ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -63.17 -38.28 90.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.18 -43.6 73.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.393 1.058 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.42 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 20.6 mt-30 -71.15 -35.25 71.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.537 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -64.47 -35.33 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -66.27 -6.8 15.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -112.07 -68.09 0.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 19' ' ' CYS . 1.9 pt-20 -49.19 -44.14 42.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.261 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 71.3 mt -97.71 -11.14 23.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.3 m 50.4 18.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.047 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.41 166.53 35.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.992 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -74.95 120.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.526 ' HA ' ' CG2' ' A' ' 30' ' ' VAL . 11.6 t0 -66.84 -1.93 4.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 26' ' ' PRO . 20.5 p -82.44 -39.3 22.78 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.992 HG22 ' O ' ' A' ' 26' ' ' PRO . 31.8 m -63.44 -36.72 77.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.622 1.201 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.53 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -77.47 -32.67 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.361 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.545 ' HB1' HD12 ' A' ' 4' ' ' ILE . . . -68.49 -16.93 64.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -77.07 -21.03 55.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -55.82 -51.05 68.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -21.44 61.39 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 17.2 t30 -75.58 -65.51 0.89 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 163.27 46.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.629 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.17 12.77 19.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 108.001 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 1.5 ttmt -44.83 -55.68 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' CB ' ' CG ' ' A' ' 123' ' ' HIS . 0.5 OUTLIER -65.31 -28.15 69.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.571 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 17.5 t0 -69.16 87.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.553 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 50.7 t80 -90.24 172.88 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.89 HG22 ' HA ' ' A' ' 46' ' ' ARG . 25.1 t -38.99 -29.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' TYR . 9.9 tpt -39.42 -27.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -111.42 -59.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.477 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -134.36 114.1 12.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.89 ' HA ' HG22 ' A' ' 42' ' ' VAL . 1.3 ttm180 -75.74 -39.77 56.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.648 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.28 -43.37 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 52' ' ' ILE . . . -60.85 -33.12 72.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.487 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -83.08 -31.85 27.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.9 -45.56 20.36 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.53 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -56.58 -47.77 78.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.648 HG12 HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -54.7 -42.84 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.361 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.44 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -56.82 -41.22 77.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 1.003 ' O ' HG23 ' A' ' 57' ' ' THR . 0.5 OUTLIER -65.58 -29.69 70.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 108.171 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.756 HD21 ' HA ' ' A' ' 12' ' ' PHE . 2.2 tm? -41.35 -27.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 109.276 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.632 ' HB1' ' CD1' ' A' ' 59' ' ' LEU . . . -61.23 -12.64 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 1.003 HG23 ' O ' ' A' ' 54' ' ' CYS . 27.8 p -17.07 -61.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.669 ' O ' HG22 ' A' ' 61' ' ' VAL . 11.7 mmtt -114.85 93.1 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.649 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 1.1 mp -58.15 -15.85 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.72 -24.33 63.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.7 m -80.24 -41.43 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.649 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.23 -46.26 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' LEU . 5.2 p-10 -124.2 105.44 31.41 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -43.17 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.424 1.749 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -112.81 2.66 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.19 39.33 2.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.401 1.063 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.683 ' OD1' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -53.54 -37.73 63.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.032 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -168.78 -176.49 2.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.402 1.064 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.501 ' N ' HD22 ' A' ' 68' ' ' LEU . 10.1 m-70 -147.25 112.08 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.578 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 3.8 t-80 -40.65 143.39 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 109.615 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.78 -45.0 3.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -129.49 74.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.81 130.38 43.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -61.77 168.84 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.49 ' O ' ' HE1' ' A' ' 78' ' ' MET . 1.3 m-20 -71.75 1.75 6.41 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.575 1.172 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.455 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 4.6 t80 -100.55 -28.46 12.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.371 1.044 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' A' ' 68' ' ' LEU . . . -54.48 -76.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.743 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -76.56 39.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.491 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -144.81 -55.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.455 ' ND1' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -70.46 -5.7 30.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.589 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.8 24.16 1.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' HG2' ' A' ' 86' ' ' MET . . . -131.99 149.34 52.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.45 142.16 53.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 109.376 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.57 -35.66 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 7.3 t -81.4 -44.5 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.56 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 12.7 ttm -53.52 -42.66 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -54.19 -46.75 72.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.45 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.4 OUTLIER -74.17 -41.93 60.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.242 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.3 mm100 -48.42 -54.48 13.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.899 HD21 ' CD1' ' A' ' 118' ' ' PHE . 7.3 mp -46.81 -45.52 20.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.545 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 9.4 t -52.43 -17.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 45.4 t0 -76.32 -68.69 0.56 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.98 -46.98 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.671 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -51.92 -24.57 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.213 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.6 -30.74 57.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.63 -24.68 29.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.567 1.167 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 100' ' ' SER . 0.7 OUTLIER -87.94 -63.77 1.25 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 16.4 tt0 -45.77 -33.91 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.201 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.425 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 27.3 pttt -73.46 -31.22 63.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.9 -7.03 41.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.08 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.63 83.31 11.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.574 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.3 Cg_endo -74.98 175.84 10.7 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 111.066 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 17.9 Cg_endo -75.01 45.4 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.578 1.83 . . . . 0.0 111.028 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 102' ' ' PRO . 32.1 t-20 -63.4 143.77 57.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.098 . . . . 0.0 109.364 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 107' ' ' LYS . 1.4 m-20 -57.08 -19.07 17.16 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.602 1.189 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 110' ' ' LYS . 43.3 m-20 -81.86 30.96 0.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.445 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 2.3 mtpt -41.23 -26.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.469 ' N ' ' C ' ' A' ' 106' ' ' ASP . 32.4 t -61.68 -51.44 68.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.563 1.164 . . . . 0.0 108.25 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.3 OUTLIER -97.01 -10.18 26.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.574 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.4 -69.34 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.441 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 7.0 m -48.19 -42.95 31.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.728 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.68 -46.48 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -43.06 -54.06 4.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.497 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -76.23 -48.48 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.612 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -47.46 -23.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.578 ' HG3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -105.54 -36.56 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 116' ' ' MET . 4.4 t -41.19 -51.51 3.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 108.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.899 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -66.31 -45.08 81.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.424 ' HB3' ' CE ' ' A' ' 116' ' ' MET . 6.2 mttt -59.05 -30.87 68.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.1 OUTLIER -61.18 -28.41 69.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 16.1 mm-40 -59.01 -28.81 66.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.656 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.5 mm -78.79 -36.86 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.574 ' CG ' ' CB ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -47.36 -18.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.685 1.241 . . . . 0.0 109.635 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.452 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -95.4 26.82 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.831 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.77 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.61 ' H ' HD13 ' A' ' 125' ' ' LEU . 14.5 t-20 -112.64 -6.19 13.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.831 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -91.79 152.16 20.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 128' ' ' VAL . 2.9 m -94.39 117.81 67.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.445 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.0 Cg_endo -74.95 51.12 2.69 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 129' ' ' PRO . 2.3 t-20 -39.23 -31.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.445 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -95.69 100.54 12.24 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.573 1.171 . . . . 0.0 111.054 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.427 ' HB3' ' N ' ' A' ' 141' ' ' GLU . 0.2 OUTLIER -118.63 106.15 12.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.802 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -175.83 115.81 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.522 ' HB ' HD13 ' A' ' 135' ' ' ILE . 92.4 t -115.29 -60.22 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.522 HD13 ' HB ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -105.45 -19.95 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.52 30.28 27.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.35 173.0 6.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 138' ' ' VAL . 13.2 m -65.06 99.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.43 -63.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.63 165.19 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.427 ' N ' ' HB3' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -73.35 84.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.464 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 1' ' ' SER . 18.3 Cg_endo -74.97 -165.83 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.62 1.852 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 15.9 mm-40 -57.04 -21.8 34.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.595 1.184 . . . . 0.0 110.22 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.796 HD11 HD21 ' A' ' 35' ' ' ASN . 16.4 mm -52.06 -41.6 32.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.41 0.28 17.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 105.19 8.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.226 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -123.32 139.93 53.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.876 HD12 ' CG ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -69.21 -170.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.393 1.058 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -52.45 -99.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.086 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' PHE . 43.1 m-20 -121.8 -31.37 3.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.639 1.212 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.876 ' CG ' HD12 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -26.77 -42.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 1.137 ' CE1' HD21 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -109.46 -64.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.435 ' HA2' ' SD ' ' A' ' 16' ' ' MET . . . -40.81 -34.79 0.81 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.488 1.118 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' A' ' 10' ' ' ASN . 18.0 ttpp -80.93 -42.56 21.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.692 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -56.99 -47.82 79.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.6 ' HE3' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -72.96 -38.22 66.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 8.2 t70 -65.88 -39.98 91.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.506 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.4 mt-30 -71.81 -42.45 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.701 ' HB3' HD11 ' A' ' 25' ' ' LEU . 1.1 m -62.33 -40.59 96.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.49 ' CD ' ' HB3' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -57.07 -13.37 2.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -109.34 -70.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.543 ' HG3' HD23 ' A' ' 23' ' ' LEU . 3.0 pt-20 -57.42 -34.47 68.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.543 HD23 ' HG3' ' A' ' 22' ' ' GLU . 4.1 mm? -97.85 -12.51 22.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m 45.45 21.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.967 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -91.64 168.35 13.45 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.975 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.4 Cg_endo -74.98 120.71 6.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.579 1.831 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.49 ' HB3' ' CD ' ' A' ' 20' ' ' LYS . 40.0 p-10 -66.99 -0.68 3.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 0.0 109.232 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.433 ' H ' ' C ' ' A' ' 26' ' ' PRO . 29.7 p -82.44 -39.85 21.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.975 HG22 ' O ' ' A' ' 26' ' ' PRO . 28.2 m -61.62 -37.37 77.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.494 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 11.9 p -77.71 -33.09 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.522 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.85 -13.39 62.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 9.2 t0 -72.01 -33.21 67.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.146 HD13 ' CZ3' ' A' ' 37' ' ' TRP . 7.2 tp -54.22 -35.02 61.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.481 ' HB2' ' O ' ' A' ' 31' ' ' ALA . 11.0 m-85 -52.79 -37.59 59.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.373 1.046 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.796 HD21 HD11 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -86.44 -70.69 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 2.0 m-85 178.28 66.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.425 1.078 . . . . 0.0 111.038 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 1.146 ' CZ3' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.83 15.87 12.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.0 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' O ' ' CE ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -54.76 -55.93 24.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.633 ' HB2' ' CE1' ' A' ' 123' ' ' HIS . 0.3 OUTLIER -59.66 -33.46 71.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.36 85.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.836 ' CZ ' HG22 ' A' ' 42' ' ' VAL . 32.6 t80 -92.53 164.05 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.068 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.836 HG22 ' CZ ' ' A' ' 41' ' ' TYR . 27.5 m -40.38 -28.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.431 1.082 . . . . 0.0 109.238 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' TYR . 11.2 tpt -38.22 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -112.56 -53.03 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.361 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -133.05 107.74 8.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -63.35 -44.34 95.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.623 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -46.81 -43.45 18.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.68 -32.71 59.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -81.56 -30.56 36.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.71 -40.05 42.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HB1' ' CG2' ' A' ' 30' ' ' VAL . . . -55.54 -48.16 75.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.495 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.7 OUTLIER -62.53 -47.29 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' HA ' ' NE2' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -60.02 -45.28 93.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.427 1.079 . . . . 0.0 109.366 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -64.57 -21.9 66.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 108.299 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.137 HD21 ' CE1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -52.93 -33.73 52.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.622 1.201 . . . . 0.0 109.347 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.616 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -71.59 -12.05 61.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.232 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.616 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -16.61 -60.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 110.448 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.673 ' O ' HG22 ' A' ' 61' ' ' VAL . 15.2 mmtt -112.08 94.97 5.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.638 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.7 OUTLIER -59.0 -16.26 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.41 -22.58 62.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.5 m -82.34 -41.73 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.638 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.88 -45.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.238 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.6 p-10 -123.09 103.35 36.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -42.03 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.93 0.38 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.87 39.44 2.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.958 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.427 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 63.2 t30 -53.43 -37.76 62.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.999 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -167.18 -176.5 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.471 ' N ' HD13 ' A' ' 68' ' ' LEU . 5.9 m-70 -146.71 118.71 8.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.528 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 8.3 t60 -42.04 142.58 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.607 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.61 -44.69 2.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -128.84 76.76 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.803 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -60.51 131.25 50.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -60.73 171.34 1.18 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.561 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 3.0 m-20 -70.23 -2.21 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.92 -46.09 10.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.6 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -65.67 -58.95 4.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.561 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -76.38 42.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 111.008 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.483 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.3 OUTLIER -152.06 -52.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.6 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -67.84 -6.47 21.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.072 . . . . 0.0 109.586 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -159.65 44.94 0.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.571 1.17 . . . . 0.0 111.016 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.768 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.01 132.97 45.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.763 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' MET . 7.7 m-20 -79.92 141.44 36.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.01 -32.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.311 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -77.38 -41.92 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.87 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -54.19 -24.53 18.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -59.98 -54.22 48.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.53 -43.37 11.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.629 1.206 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.6 mt-30 -43.3 -62.22 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.046 HD21 ' CE1' ' A' ' 118' ' ' PHE . 6.4 mp -49.24 -43.97 43.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.227 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 0.9 OUTLIER -56.31 -18.35 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 109.358 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 39.0 t0 -73.54 -69.36 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.64 -46.79 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.599 1.187 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.627 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.85 -27.46 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.394 1.059 . . . . 0.0 109.367 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.563 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -75.53 -31.11 59.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.565 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.403 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -89.43 -23.96 32.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.33 -61.83 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.486 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.1 tt0 -45.47 -35.33 3.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -73.89 -30.48 62.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.581 1.175 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.0 -5.43 44.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.95 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -114.66 82.8 8.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.559 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -74.99 176.47 9.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 44.97 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.4 1.737 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 102' ' ' PRO . 0.8 OUTLIER -63.78 141.4 58.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 107' ' ' LYS . 6.9 p-10 -56.54 -18.39 11.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.8 t0 -80.62 32.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.491 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 1.8 tmtt? -40.91 -26.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.475 ' N ' ' C ' ' A' ' 106' ' ' ASP . 11.4 t -62.21 -51.39 68.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.339 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.511 ' N ' ' O ' ' A' ' 106' ' ' ASP . 7.6 ttt -100.67 -4.93 27.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.079 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -90.02 -69.81 0.7 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.413 ' CB ' ' HG2' ' A' ' 107' ' ' LYS . 84.0 m -51.64 -41.45 61.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.714 ' O ' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.45 -46.81 10.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.71 -52.33 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.523 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -75.84 -49.58 25.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -49.5 -22.2 1.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.59 -37.29 7.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.92 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.0 t -41.5 -54.4 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 108.271 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 1.046 ' CE1' HD21 ' A' ' 90' ' ' LEU . 1.4 t80 -66.29 -37.71 86.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -62.63 -30.43 71.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.182 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 116' ' ' MET . 27.0 mttt -61.56 -29.13 69.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.473 ' HA ' ' CE ' ' A' ' 124' ' ' LYS . 8.0 mm-40 -59.94 -28.47 67.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.24 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.63 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.6 mm -80.79 -36.42 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.633 ' CE1' ' HB2' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -47.24 -18.4 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.622 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.493 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -94.73 25.12 4.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.743 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -46.03 -95.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.687 ' H ' HD13 ' A' ' 125' ' ' LEU . 28.1 m-80 -96.46 -24.93 15.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.638 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -91.84 137.32 32.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 108.027 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 6.5 m -92.93 116.96 67.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.209 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.4 Cg_endo -75.03 50.3 2.5 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.427 1.751 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -40.18 -31.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.433 ' N ' ' C ' ' A' ' 129' ' ' PRO . 2.1 ttt -96.53 109.61 22.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.537 ' CG ' ' HB1' ' A' ' 140' ' ' ALA . 1.5 t0 -124.34 125.57 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.9 86.95 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.383 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.076 HG13 HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -118.41 -45.55 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 1.076 HD13 HG13 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -106.33 -20.63 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.231 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 70.11 23.38 77.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.66 1.225 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.2 173.48 10.08 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.443 0.731 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 138' ' ' VAL . 18.6 m -65.03 100.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER 177.12 -39.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.537 ' HB1' ' CG ' ' A' ' 132' ' ' ASP . . . -93.24 165.45 12.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.476 ' N ' ' CB ' ' A' ' 132' ' ' ASP . 0.0 OUTLIER -70.07 85.74 0.54 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.335 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.484 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.5 mm -55.21 -37.77 44.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.04 -5.05 28.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -109.57 106.07 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -118.68 139.62 51.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.789 HD11 ' H ' ' A' ' 12' ' ' PHE . 3.3 pp -70.26 -164.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.494 ' O ' ' O ' ' A' ' 8' ' ' LEU . 28.9 t -47.27 -103.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 109.953 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.6 ' O ' ' N ' ' A' ' 12' ' ' PHE . 7.4 m120 -125.55 -34.03 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.744 ' OD1' HG23 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -34.53 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.968 ' CD1' HD11 ' A' ' 55' ' ' LEU . 8.6 t80 -113.73 -64.34 1.32 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.17 -34.28 5.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 10' ' ' ASN . 2.6 ttpt -79.19 -53.82 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.666 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -56.3 -41.84 76.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.609 ' HE1' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -64.97 -47.14 78.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 110.956 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -67.38 -38.08 84.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.5 mt-30 -71.08 -41.15 71.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.726 ' HB3' HD12 ' A' ' 23' ' ' LEU . 60.1 m -62.01 -35.87 79.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.38 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 24' ' ' SER . 4.1 ttpt -67.77 -7.03 24.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.22 -68.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -48.58 -42.65 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.252 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.726 HD12 ' HB3' ' A' ' 19' ' ' CYS . 1.1 mt -98.75 -11.05 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.189 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.53 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.19 18.1 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.737 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -84.9 167.61 25.43 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.794 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.6 Cg_endo -74.97 119.83 5.82 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 111.051 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.503 ' HA ' HG12 ' A' ' 30' ' ' VAL . 30.5 p-10 -68.43 -0.83 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 26' ' ' PRO . 29.2 p -82.49 -41.4 19.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 26' ' ' PRO . 14.7 m -64.77 -36.6 78.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 27' ' ' ASP . 12.3 p -77.28 -31.73 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.378 1.049 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.55 -15.07 63.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.568 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 62.3 t0 -78.3 -30.8 48.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 33' ' ' LEU . 11.1 mt -52.17 -38.17 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.794 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -73.05 -21.36 60.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.536 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 1.1 t-20 -67.98 -73.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER 159.88 29.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -94.57 26.1 3.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 108.051 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.584 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -45.37 -46.18 12.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.54 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 3.0 t0 -48.63 -32.83 8.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.61 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 8.5 t70 -83.36 89.8 7.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.588 ' CE2' ' HD2' ' A' ' 120' ' ' LYS . 1.5 m-85 -90.66 -175.53 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.434 ' C ' ' N ' ' A' ' 44' ' ' THR . 6.0 m -40.6 -29.68 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.429 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -41.62 -25.3 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.547 1.154 . . . . 0.0 111.068 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.434 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -113.16 -54.7 2.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.555 ' OD2' HG21 ' A' ' 29' ' ' VAL . 1.2 t70 -135.51 99.22 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.387 1.054 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.785 ' HD2' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -62.44 -33.0 73.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.84 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -49.38 -44.42 44.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.55 64.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.23 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.419 ' C ' HG13 ' A' ' 112' ' ' ILE . . . -82.39 -30.64 33.03 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.536 1.148 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.25 -45.08 20.49 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.45 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -57.4 -47.76 80.86 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -60.03 -39.8 81.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.592 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -60.99 -43.83 98.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.603 ' O ' HG22 ' A' ' 57' ' ' THR . 0.0 OUTLIER -67.9 -20.46 65.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 108.245 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.968 HD11 ' CD1' ' A' ' 12' ' ' PHE . 1.3 tp -52.94 -37.64 61.18 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.601 1.188 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.857 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -72.36 -12.25 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.203 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -15.13 -59.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.71 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -111.79 103.81 12.09 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.857 HD23 ' O ' ' A' ' 56' ' ' ALA . 7.9 mt -71.05 -18.78 62.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -32.29 73.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.71 HG22 ' O ' ' A' ' 58' ' ' LYS . 18.9 m -89.26 -39.22 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.744 HG23 ' OD1' ' A' ' 11' ' ' ASN . 0.9 OUTLIER -68.76 -41.41 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.446 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -134.73 106.17 10.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -111.07 4.14 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.446 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.48 45.99 2.05 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.14 . . . . 0.0 111.066 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -52.35 -37.33 55.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 0.735 . . . . 0.0 109.283 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.024 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.38 -174.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.531 ' N ' HD13 ' A' ' 68' ' ' LEU . 45.4 m-70 -147.07 116.57 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.592 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 14.8 t-80 -39.99 140.0 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.35 -45.14 3.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -127.18 79.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.725 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.15 130.28 42.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.4 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -60.49 171.0 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.389 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.538 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 12.5 m-20 -70.76 0.23 7.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.4 ' H ' ' C ' ' A' ' 74' ' ' LYS . 3.2 t80 -87.87 -45.98 9.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -63.59 -59.0 5.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.538 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -77.77 41.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 3.8 tptt -153.52 -53.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -68.77 -5.83 23.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.626 1.204 . . . . 0.0 109.62 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -160.45 39.6 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.544 ' HB1' ' SD ' ' A' ' 86' ' ' MET . . . -131.03 146.87 52.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 0.721 . . . . 0.0 109.372 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.77 138.56 33.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -42.87 -33.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -77.58 -44.28 28.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 110.359 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.647 ' HG3' HD22 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -55.48 -24.09 29.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -54.36 -60.08 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.456 ' HA ' ' CG2' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -86.56 -41.63 14.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 92' ' ' ASP . 1.6 mt-30 -42.64 -60.85 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.04 HD21 ' CE1' ' A' ' 118' ' ' PHE . 7.4 mp -47.07 -40.77 15.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.56 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.8 t -56.78 -15.39 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.373 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 89' ' ' GLN . 2.3 m-20 -76.93 -69.29 0.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.75 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -63.23 -46.72 95.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.608 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -53.03 -26.93 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 2.1 m170 -75.86 -30.5 58.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.634 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.401 ' C ' ' HG2' ' A' ' 99' ' ' LYS . . . -88.65 -24.66 32.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -89.23 -62.76 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -45.64 -33.64 3.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 95' ' ' HIS . 2.3 pttt -73.3 -31.4 64.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.64 -8.4 34.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.038 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.48 80.31 12.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.09 171.59 18.02 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 44.67 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 102' ' ' PRO . 1.3 t-20 -61.4 149.79 37.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.421 ' C ' ' H ' ' A' ' 107' ' ' LYS . 12.4 m-20 -53.45 -26.81 21.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -83.61 29.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 105' ' ' ASP . 14.5 pttt -39.87 -30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.445 ' N ' ' C ' ' A' ' 106' ' ' ASP . 7.0 t -51.97 -48.27 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' ASP . 22.8 ttt -102.17 -5.95 23.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -90.43 -79.4 0.35 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 114' ' ' VAL . 8.2 m -45.15 -43.95 10.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.755 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.08 -45.92 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -40.8 -42.0 1.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.393 1.058 . . . . 0.0 109.285 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -80.92 -49.36 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.45 -22.18 1.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.469 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 16.1 ptt? -103.3 -31.17 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 116' ' ' MET . 1.8 t -50.8 -53.95 27.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 108.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 1.04 ' CE1' HD21 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -65.52 -32.64 74.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.093 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -57.64 -30.38 65.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.588 ' HD2' ' CE2' ' A' ' 41' ' ' TYR . 27.0 mtmt -63.95 -32.28 73.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.579 ' OE2' HG21 ' A' ' 93' ' ' ILE . 52.2 mm-40 -59.36 -27.68 66.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.233 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.671 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.4 mm -80.73 -40.2 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -48.15 -21.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -103.66 30.85 4.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.761 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -42.93 -102.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.528 ' H ' HD13 ' A' ' 125' ' ' LEU . 39.7 m-80 -102.54 -30.12 11.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.745 ' H ' HD13 ' A' ' 125' ' ' LEU . 1.9 p-90 -108.7 135.94 49.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 107.982 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 128' ' ' VAL . 10.3 p -124.77 90.07 51.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 50.31 2.5 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -40.54 -35.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.27 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.6 mtp -134.94 100.76 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.786 ' O ' HG23 ' A' ' 134' ' ' VAL . 6.8 p-10 -126.08 125.0 41.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.802 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -44.97 116.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 132' ' ' ASP . 99.4 t -111.58 -53.77 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.381 1.05 . . . . 0.0 109.223 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.587 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.39 -15.87 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.342 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.0 33.11 19.09 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -105.72 172.61 6.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 138' ' ' VAL . 17.8 m -65.45 100.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.72 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -102.72 163.5 12.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.41 86.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.3 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.539 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 31' ' ' ALA . 5.3 mm -54.02 -52.83 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -0.42 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -112.62 105.11 13.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 4.2 p-10 -119.51 140.3 50.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.742 HD22 ' HB2' ' A' ' 11' ' ' ASN . 1.2 tt -60.21 178.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.535 ' N ' HD23 ' A' ' 8' ' ' LEU . 52.9 m -49.38 -87.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.586 1.179 . . . . 0.0 109.981 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 12' ' ' PHE . 6.9 m120 -118.16 -38.14 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.742 ' HB2' HD22 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -35.78 -34.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' ASN . 15.2 m-85 -114.04 -69.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.4 -33.76 0.94 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.426 1.078 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 6.3 ttpt -80.29 -53.75 6.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.384 0.697 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.767 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -59.93 -44.71 94.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.52 ' CE ' HD23 ' A' ' 55' ' ' LEU . 26.6 mmt -62.59 -39.13 92.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.427 1.08 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -72.85 -44.63 61.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.421 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 14.3 mt-30 -67.92 -40.52 83.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.484 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 67.5 m -61.02 -38.26 85.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 108.318 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -67.65 -5.1 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.365 1.041 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.87 -68.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -45.33 -45.58 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.582 1.176 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 50' ' ' CYS . 1.8 mt -98.35 -11.37 22.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 51.77 17.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.945 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.696 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.74 166.6 35.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.966 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.1 Cg_endo -75.05 120.07 5.9 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.416 1.745 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -66.01 -2.17 3.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.202 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 26' ' ' PRO . 33.8 p -81.61 -40.19 23.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.185 . . . . 0.0 110.022 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.966 HG22 ' O ' ' A' ' 26' ' ' PRO . 35.4 m -64.28 -36.39 76.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.57 -32.13 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.481 ' O ' HD12 ' A' ' 4' ' ' ILE . . . -68.15 -18.56 64.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -65.46 -35.88 82.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.827 HD13 ' CZ3' ' A' ' 37' ' ' TRP . 3.6 tp -50.51 -48.96 56.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.539 ' CD1' ' HB3' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -51.02 -29.23 12.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -85.33 -67.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 169.45 53.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.827 ' CZ3' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.18 9.66 27.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.046 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -46.54 -54.19 9.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.206 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.34 -35.5 67.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 52.2 t0 -71.31 84.52 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.83 ' CZ ' HG22 ' A' ' 42' ' ' VAL . 28.3 t80 -81.86 163.31 22.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.83 HG22 ' CZ ' ' A' ' 41' ' ' TYR . 29.4 m -38.71 -30.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -40.04 -26.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -113.85 -50.04 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.85 93.46 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.503 ' HA ' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -66.86 -40.55 87.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.696 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -46.02 -42.97 13.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.93 -32.81 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.196 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.486 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -75.35 -32.29 55.61 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.407 1.067 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.58 ' HB3' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -81.03 -40.42 24.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.476 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . . . -61.06 -48.6 80.99 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.593 1.183 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -61.41 -40.22 85.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.05 -42.44 98.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.644 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -67.72 -21.05 65.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 108.299 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.767 HD22 ' HB3' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -52.72 -37.88 59.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.901 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -75.63 -11.58 60.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.405 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.654 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -12.94 -61.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 110.417 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.664 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -111.74 95.66 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.901 HD23 ' O ' ' A' ' 56' ' ' ALA . 6.4 mt -60.79 -17.04 47.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -67.82 -22.25 65.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.241 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.5 m -82.51 -41.68 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.431 1.082 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.661 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.18 -45.54 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -123.31 109.74 31.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.591 1.182 . . . . 0.0 109.339 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.89 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -111.32 -0.88 16.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 105.36 46.05 1.27 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.406 ' ND2' ' C ' ' A' ' 67' ' ' ASN . 1.3 t30 -53.32 -36.02 60.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.325 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.997 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.48 -173.81 1.77 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.499 ' N ' HD13 ' A' ' 68' ' ' LEU . 40.5 m-70 -144.73 117.94 8.95 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.095 . . . . 0.0 109.537 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.493 ' HB2' ' CB ' ' A' ' 56' ' ' ALA . 16.6 t60 -42.01 140.09 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.522 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.54 -45.61 3.12 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -124.43 77.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 109.316 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.0 130.81 44.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -60.88 172.2 1.02 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.325 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.53 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.5 OUTLIER -69.8 -1.89 10.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -88.54 -46.0 9.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.537 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . . . -65.33 -58.33 6.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.53 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -76.55 41.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.608 1.192 . . . . 0.0 111.011 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.486 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 7.8 tmtt? -149.59 -53.34 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.155 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -5.69 27.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.87 39.93 0.5 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.089 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.503 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.05 131.02 45.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.18 139.16 54.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.48 -33.32 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 1.2 t -75.95 -44.71 38.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.881 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.35 -24.01 41.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 110.941 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -53.93 -61.13 2.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.441 ' HA ' ' CG2' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -88.63 -40.6 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.9 mt-30 -42.29 -61.43 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.261 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.881 HD22 ' SD ' ' A' ' 86' ' ' MET . 9.8 mp -47.19 -42.22 19.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.412 1.07 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.568 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 3.2 t -54.95 -16.31 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 1.5 m-20 -76.63 -69.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.61 -47.08 90.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.66 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.53 -25.68 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.6 m170 -75.96 -30.52 58.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.421 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -87.14 -23.97 39.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -90.16 -60.77 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.9 OUTLIER -45.65 -35.42 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.64 1.212 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -71.39 -30.81 66.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.45 -8.67 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 110.037 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.607 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -117.88 79.68 13.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -75.05 173.5 14.41 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.793 . . . . 0.0 110.988 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 42.83 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 102' ' ' PRO . 3.4 t-20 -61.73 150.04 37.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.425 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.9 OUTLIER -54.68 -21.6 11.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' MET . 4.2 m-20 -83.61 28.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 105' ' ' ASP . 22.3 pttt -40.51 -29.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.457 ' N ' ' C ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -54.97 -50.63 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.334 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 4.1 ptt? -101.36 -4.31 27.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -90.14 -79.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 114' ' ' VAL . 98.0 m -45.83 -44.34 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.732 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -46.72 -46.01 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 1.5 t70 -43.75 -43.52 6.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.607 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -77.96 -53.0 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.25 -20.94 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.469 ' CG ' HD11 ' A' ' 112' ' ' ILE . 5.6 mmm -102.97 -35.35 8.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 2.4 t -44.31 -54.77 5.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.364 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.82 ' CE1' HD21 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -65.14 -35.69 81.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -31.97 73.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -27.93 69.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.508 ' OE2' HG21 ' A' ' 93' ' ' ILE . 6.9 mm-40 -57.38 -27.5 62.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.652 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.4 mm -80.14 -39.73 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.427 1.079 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.454 ' CD2' ' C ' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -49.0 -21.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -99.41 28.91 4.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.765 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -44.43 -103.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.515 ' H ' HD13 ' A' ' 125' ' ' LEU . 8.2 t30 -103.82 -29.82 10.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.371 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.759 ' H ' HD13 ' A' ' 125' ' ' LEU . 25.6 p-90 -108.61 145.36 35.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 107.977 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 64.7 t -116.82 113.84 39.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 49.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -44.86 -35.23 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.62 109.42 21.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.579 1.174 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -128.95 125.1 36.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.869 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.3 111.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.224 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.416 HG12 HD13 ' A' ' 135' ' ' ILE . 6.2 p -116.4 -7.91 12.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.502 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.62 -20.85 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.766 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 75.65 31.95 55.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -131.23 170.7 14.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 0.74 . . . . 0.0 110.338 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 138' ' ' VAL . 16.0 m -65.77 114.33 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.398 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 175.18 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -90.82 164.79 13.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 85.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 9.9 mm-40 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.4 mm -57.75 -38.44 65.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.82 -9.1 27.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -110.1 106.72 16.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.4 p-10 -118.65 139.33 51.69 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 9' ' ' SER . 1.2 tt -63.53 -179.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.548 ' N ' HD23 ' A' ' 8' ' ' LEU . 28.1 t -48.98 -92.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.494 ' O ' ' C ' ' A' ' 11' ' ' ASN . 4.2 m120 -119.19 -38.2 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.242 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -33.35 -37.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.905 ' CE1' HD21 ' A' ' 55' ' ' LEU . 23.6 m-85 -113.8 -64.94 1.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.411 1.069 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.99 -42.82 8.2 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 12.6 ttpt -72.46 -51.56 19.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 0.719 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.835 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -55.47 -42.37 74.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.605 1.191 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.595 ' HG3' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -67.22 -44.9 78.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.58 -37.65 85.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 16.8 mt-30 -71.88 -40.83 68.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.499 ' O ' HD12 ' A' ' 25' ' ' LEU . 90.9 m -65.33 -35.01 79.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -67.37 -7.14 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.616 1.197 . . . . 0.0 109.308 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.8 -68.06 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.474 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 1.7 pt-20 -49.09 -42.98 40.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD13 ' HB3' ' A' ' 50' ' ' CYS . 35.0 mt -97.95 -10.84 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 49.85 17.79 0.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 0.0 110.057 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.739 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -85.17 167.65 24.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.88 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -74.99 120.45 6.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 27.3 p-10 -68.34 -1.49 6.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 26' ' ' PRO . 13.2 p -82.57 -40.17 21.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.88 HG22 ' O ' ' A' ' 26' ' ' PRO . 24.9 m -64.59 -36.8 78.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.595 HG11 ' HG3' ' A' ' 16' ' ' MET . 9.2 p -77.45 -32.37 18.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.44 -17.62 63.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -75.18 -19.82 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.238 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.678 HD12 ' CG ' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -59.39 -50.84 72.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.506 ' OH ' ' CE2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -55.58 -21.44 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 36' ' ' PHE . 1.2 m-20 -78.63 -72.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 35' ' ' ASN . 9.7 p90 172.87 46.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.678 ' CG ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.24 13.67 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -43.66 -55.75 4.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.466 ' N ' ' HB2' ' A' ' 123' ' ' HIS . 0.6 OUTLIER -63.87 -32.25 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.513 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 43.1 t0 -70.14 59.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.598 ' CD1' ' CB ' ' A' ' 43' ' ' MET . 0.1 OUTLIER -63.25 172.65 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.835 HG11 ' CE ' ' A' ' 109' ' ' MET . 14.5 t -41.4 -35.41 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.598 ' CB ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -38.74 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 111.032 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -109.49 -49.78 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.42 98.73 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.744 ' HA ' HG13 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -66.07 -43.2 88.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.659 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -46.78 -43.47 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' HB1' HD11 ' A' ' 33' ' ' LEU . . . -55.12 -32.96 62.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.548 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -75.51 -32.05 55.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.711 ' HB3' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -81.93 -42.6 19.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.589 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . . . -55.96 -48.72 75.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.553 ' CD1' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -65.27 -35.75 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.405 ' ND2' ' HB ' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -58.39 -51.25 70.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.626 ' O ' HG22 ' A' ' 57' ' ' THR . 1.6 p -68.2 -25.09 65.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.35 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.905 HD21 ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -51.24 -36.17 40.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.871 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -74.29 -12.22 60.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.628 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.92 -60.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.737 ' HG2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -111.74 105.62 14.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.871 HD23 ' O ' ' A' ' 56' ' ' ALA . 3.6 mt -72.12 -21.95 61.4 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -35.06 77.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.737 HG13 ' HG2' ' A' ' 58' ' ' LYS . 31.3 m -84.97 -38.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.23 -45.44 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.445 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.5 OUTLIER -125.53 106.24 27.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -42.38 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.62 4.4 20.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.445 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.22 47.63 2.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -52.6 -37.65 58.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 0.716 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.996 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -174.05 -173.4 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.536 ' N ' HD13 ' A' ' 68' ' ' LEU . 78.6 m-70 -145.31 120.32 10.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.652 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.403 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 35.8 t60 -48.05 141.29 6.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.646 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 -45.9 3.21 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.606 1.191 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -128.91 81.02 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.776 . . . . 0.0 109.358 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -62.22 129.47 40.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -61.61 172.69 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.857 ' HA ' ' HE1' ' A' ' 78' ' ' MET . 2.9 m-20 -72.54 7.98 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 74' ' ' LYS . 5.7 m-85 -104.87 -28.99 10.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.786 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -68.16 -76.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.354 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.857 ' HE1' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -74.39 43.12 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.774 ' HB2' ' HE2' ' A' ' 78' ' ' MET . 3.6 tppt? -143.56 -51.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -67.82 -6.5 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.564 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -145.22 23.24 1.9 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.668 ' HB1' ' CB ' ' A' ' 86' ' ' MET . . . -132.41 160.49 36.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 0.747 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -95.8 149.86 21.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.72 -30.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 83' ' ' ASP . 1.5 t -66.36 -41.77 89.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.349 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.668 ' CB ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -45.24 -38.75 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 110.979 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -48.47 -49.28 36.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.17 -45.36 7.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 2.1 mt-30 -44.28 -56.73 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.636 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 9.0 mp -47.02 -49.34 21.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.542 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.5 t -54.69 -14.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 27.9 t0 -79.71 -71.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.636 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.37 -47.52 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.378 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.565 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -51.69 -24.63 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.399 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 0.9 OUTLIER -76.21 -30.38 57.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 109.639 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -87.49 -23.89 38.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.3 m -90.62 -61.19 1.73 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.6 tm-20 -45.59 -32.57 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.97 -30.72 61.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.357 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.25 -8.28 33.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.431 1.082 . . . . 0.0 110.052 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.597 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -116.88 80.85 11.47 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.432 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.11 172.37 16.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 43.57 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.432 ' H ' ' C ' ' A' ' 102' ' ' PRO . 3.3 t-20 -61.87 148.73 42.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -55.24 -23.16 21.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.3 OUTLIER -83.67 30.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 105' ' ' ASP . 17.7 mtmt -40.21 -30.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 106' ' ' ASP . 12.2 t -54.86 -48.94 72.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 108.267 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.835 ' CE ' HG11 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -101.16 -6.73 23.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.984 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -89.41 -79.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 114' ' ' VAL . 10.9 m -43.66 -42.42 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.413 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.723 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -44.57 -46.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.492 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -42.54 -42.4 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.597 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -81.66 -49.07 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.226 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.79 -22.03 1.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.468 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 13.1 ptt? -102.74 -29.25 11.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 116' ' ' MET . 2.3 t -53.95 -47.46 71.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.317 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.463 ' CE1' HD21 ' A' ' 90' ' ' LEU . 2.0 t80 -63.88 -46.19 86.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -30.69 71.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -29.28 62.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.591 ' OE1' HD12 ' A' ' 90' ' ' LEU . 35.7 mt-10 -59.09 -35.59 73.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.63 HD13 ' N ' ' A' ' 122' ' ' ILE . 2.0 mm -75.76 -37.29 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.58 ' CE1' ' HG3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -46.89 -19.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.679 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.482 ' N ' ' C ' ' A' ' 122' ' ' ILE . 22.2 mtpt -95.57 26.15 4.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.817 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -46.04 -95.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.705 ' H ' HD13 ' A' ' 125' ' ' LEU . 10.4 t30 -97.66 -20.1 17.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.198 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.817 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -90.25 138.79 31.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 31.1 m -119.44 117.31 33.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.58 ' HG3' ' CE1' ' A' ' 123' ' ' HIS . 18.1 Cg_endo -75.06 50.24 2.49 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' PRO . 18.5 p-10 -40.26 -29.88 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.436 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -111.85 105.13 13.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.558 ' O ' ' HB1' ' A' ' 140' ' ' ALA . 1.6 m-20 -129.7 123.17 30.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -161.89 124.11 2.9 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.622 1.201 . . . . 0.0 109.298 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.49 ' HB ' HD13 ' A' ' 135' ' ' ILE . 72.2 t -115.18 -59.47 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.49 HD13 ' HB ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -105.63 -14.75 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.41 24.02 52.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -105.79 174.17 6.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 138' ' ' VAL . 14.3 m -65.8 100.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.68 -47.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' A' ' 132' ' ' ASP . . . -90.28 164.9 14.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.66 84.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.633 HD11 ' OD1' ' A' ' 35' ' ' ASN . 4.3 mm -57.37 -38.17 61.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -1.63 40.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -124.03 106.37 10.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.2 p-10 -118.81 139.56 51.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.748 HD13 ' H ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -62.97 178.09 0.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.748 ' H ' HD13 ' A' ' 8' ' ' LEU . 46.7 m -48.07 -97.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 12' ' ' PHE . 77.9 m-20 -121.87 -39.05 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.652 ' ND2' ' H ' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -32.96 -37.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.44 1.088 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.918 ' CE2' HD21 ' A' ' 55' ' ' LEU . 13.0 m-85 -115.11 -66.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.41 1.069 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.506 ' HA2' ' SD ' ' A' ' 16' ' ' MET . . . -43.67 -35.97 3.26 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -80.79 -41.51 23.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 0.73 . . . . 0.0 109.372 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -57.28 -48.45 78.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.529 ' HE3' ' O ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.96 -37.17 69.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.21 -44.36 84.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' NE2' ' HD3' ' A' ' 14' ' ' LYS . 14.3 mt-30 -71.18 -33.56 70.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.765 ' SG ' HD12 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -65.7 -35.59 81.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 108.189 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -64.99 -7.31 11.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.69 -68.55 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.516 ' HG2' ' HA ' ' A' ' 19' ' ' CYS . 2.3 pt-20 -50.27 -44.44 53.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.765 HD12 ' SG ' ' A' ' 19' ' ' CYS . 58.7 mt -98.24 -9.94 24.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.549 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 49.09 18.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.666 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -81.81 168.71 22.27 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.978 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.5 Cg_endo -74.93 119.89 5.86 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 52.9 p-10 -67.76 -1.15 4.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.224 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 26' ' ' PRO . 33.7 p -81.66 -39.16 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.978 HG22 ' O ' ' A' ' 26' ' ' PRO . 34.7 m -61.69 -36.66 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.421 ' HA ' ' CZ3' ' A' ' 37' ' ' TRP . 12.0 p -77.6 -31.19 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.185 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.582 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -68.03 -17.56 64.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -78.97 -19.69 51.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.374 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.841 HD22 ' O ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -56.65 -52.53 64.55 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.45 1.094 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.66 -23.68 67.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.633 ' OD1' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -77.9 -76.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.177 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.592 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 40.8 p90 173.91 66.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.728 ' NE1' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -90.5 8.42 33.99 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -58.37 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -68.34 -34.36 75.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 37' ' ' TRP . 11.3 t0 -77.31 94.03 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.558 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 53.3 t80 -102.04 173.74 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.801 HG13 ' CA ' ' A' ' 46' ' ' ARG . 49.0 t -39.33 -29.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.544 1.153 . . . . 0.0 109.231 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' TYR . 2.2 tpp -38.48 -28.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -105.91 -57.11 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.659 ' OD2' HD23 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -138.8 106.06 5.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.801 ' CA ' HG13 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -59.56 -33.86 71.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.823 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -46.84 -43.98 19.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HB1' ' CZ3' ' A' ' 37' ' ' TRP . . . -55.9 -33.0 64.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.569 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -81.48 -30.54 36.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.79 -43.03 26.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.04 -46.93 75.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.537 HG22 ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -59.84 -42.16 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.05 -43.51 91.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.61 ' O ' HG22 ' A' ' 57' ' ' THR . 0.5 OUTLIER -67.87 -28.65 67.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.918 HD21 ' CE2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -52.96 -34.97 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.32 -12.93 61.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.198 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.72 -58.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.761 ' O ' HG22 ' A' ' 61' ' ' VAL . 8.9 mmtt -111.51 101.89 10.27 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.473 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -71.9 -19.6 61.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -34.84 79.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 58' ' ' LYS . 27.2 m -84.18 -37.76 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.79 -43.26 80.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 2.2 p-10 -131.34 106.12 14.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 109.226 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.579 1.831 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.59 3.89 19.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.457 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.33 44.15 2.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -50.64 -37.57 41.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 0.795 . . . . 0.0 109.249 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.023 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.43 -174.4 0.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 39.8 m170 -146.45 116.49 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.539 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -41.43 140.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.587 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.84 -45.5 3.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 111.065 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -127.57 81.18 2.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 0.75 . . . . 0.0 109.246 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.46 127.63 32.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.392 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 76' ' ' PHE . 7.8 mttm -60.69 172.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.54 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 66.4 m-20 -70.41 1.68 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 109.23 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' H ' ' C ' ' A' ' 74' ' ' LYS . 18.9 m-85 -88.59 -45.64 9.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -64.29 -58.86 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.54 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -77.48 41.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 111.048 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.477 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 11.7 tttt -152.81 -51.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -68.29 -6.2 22.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 0.0 109.569 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -152.72 23.86 0.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.825 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.43 134.46 46.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.562 ' O ' ' CG ' ' A' ' 86' ' ' MET . 7.6 m-20 -78.99 147.71 32.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -41.77 -31.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.413 ' OG1' ' HG3' ' A' ' 89' ' ' GLN . 1.3 t -64.27 -37.84 88.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.364 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.825 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -52.64 -29.21 25.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.474 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -52.92 -51.7 60.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.404 HE21 ' N ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -94.12 -45.47 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.241 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.5 mt-30 -44.75 -63.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.782 ' O ' HD13 ' A' ' 93' ' ' ILE . 33.5 mt -48.57 -44.69 36.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.598 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.1 t -55.28 -20.07 6.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 7.3 m-20 -71.56 -69.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.782 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.32 -46.89 91.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.638 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -53.48 -25.99 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.598 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.5 m170 -76.15 -31.14 58.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.657 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.432 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.13 -23.59 37.37 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.5 -62.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -45.08 -35.66 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.1 OUTLIER -72.3 -30.61 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.97 -7.13 37.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.924 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.53 84.26 11.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.57 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -75.08 176.29 10.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.428 1.751 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.06 47.25 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -63.8 141.5 58.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' A' ' 107' ' ' LYS . 7.3 m-20 -56.25 -18.49 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.4 OUTLIER -81.4 32.13 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 25.7 pttt -41.46 -25.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.4 1.062 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.49 ' N ' ' C ' ' A' ' 106' ' ' ASP . 25.5 t -60.09 -51.39 69.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -103.31 -4.73 23.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.57 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.5 -70.63 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.2 m -51.98 -43.21 63.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.6 -43.36 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.417 ' CG ' ' OH ' ' A' ' 41' ' ' TYR . 3.8 t0 -45.84 -54.03 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.388 1.055 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.56 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -71.72 -50.07 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.22 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -51.02 -20.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.478 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.52 -35.97 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.7 t -41.95 -50.06 4.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.522 1.139 . . . . 0.0 108.311 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.2 OUTLIER -65.75 -46.13 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -59.93 -30.19 68.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.5 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.6 OUTLIER -61.47 -28.65 69.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.462 ' CD ' HG21 ' A' ' 93' ' ' ILE . 10.2 mm-40 -58.29 -28.64 65.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.238 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.674 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.6 mm -77.42 -37.56 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -47.12 -20.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.636 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.529 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -97.79 28.26 3.97 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.771 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -45.5 -103.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.509 ' H ' HD13 ' A' ' 125' ' ' LEU . 38.6 m-80 -101.33 -30.54 11.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.729 ' H ' HD13 ' A' ' 125' ' ' LEU . 8.8 p-90 -107.68 139.55 42.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.0 m -115.93 113.31 42.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 49.94 2.4 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.448 1.762 . . . . 0.0 110.987 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -40.98 -32.66 0.25 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.86 106.69 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.572 ' O ' HG23 ' A' ' 134' ' ' VAL . 0.8 OUTLIER -114.01 124.34 51.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.812 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.8 126.08 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 132' ' ' ASP . 55.0 t -113.64 -51.95 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.434 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.494 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.09 -15.26 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.02 33.14 18.95 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.16 162.5 12.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 138' ' ' VAL . 16.4 m -65.55 101.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.376 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 179.4 -46.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -96.89 164.93 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.46 86.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.387 1.054 . . . . 0.0 109.339 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 5.7 mp0 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.538 HG23 ' HB1' ' A' ' 31' ' ' ALA . 4.2 mm -58.93 -37.75 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -1.6 53.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.403 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 12.4 tttp -115.4 105.07 12.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.394 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.6 p-10 -131.1 139.63 49.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.807 HD13 ' N ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -60.06 170.5 1.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.807 ' N ' HD13 ' A' ' 8' ' ' LEU . 59.7 m -46.85 -78.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.402 1.063 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' PHE . 18.2 m120 -121.23 -38.84 2.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.427 1.079 . . . . 0.0 109.359 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.782 ' ND2' HG23 ' A' ' 61' ' ' VAL . 6.5 t-20 -36.78 -33.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.474 ' CD1' HD21 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -115.64 -69.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.15 -34.03 1.41 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 1.6 tmmm? -81.19 -53.72 6.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.754 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.733 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -57.75 -42.99 85.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.512 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 30.0 mmt -64.48 -42.67 95.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.33 -47.52 56.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 10.2 mt-30 -64.27 -40.13 95.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.486 ' O ' HD12 ' A' ' 25' ' ' LEU . 8.1 m -59.71 -39.02 83.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 108.324 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -67.96 -5.32 16.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -112.03 -69.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -45.25 -44.38 11.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 50' ' ' CYS . 0.2 OUTLIER -98.74 -11.98 21.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 52.26 17.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.378 1.049 . . . . 0.0 110.065 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.722 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.96 167.3 28.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.758 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.6 Cg_endo -74.87 121.26 6.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.557 ' HA ' HG12 ' A' ' 30' ' ' VAL . 45.8 t0 -68.2 -0.89 5.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 26' ' ' PRO . 26.9 p -81.47 -41.97 20.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 26' ' ' PRO . 14.4 m -65.29 -36.45 77.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 27' ' ' ASP . 12.6 p -77.74 -32.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.538 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -68.47 -17.05 64.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.56 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 66.8 t0 -75.85 -32.39 59.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' N ' ' HE1' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -53.92 -28.05 34.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.361 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -73.44 -26.0 60.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.61 1.194 . . . . 0.0 110.992 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.577 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -70.3 -74.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CG ' ' C ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER 159.99 34.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.612 ' CZ3' ' CG ' ' A' ' 40' ' ' ASP . 1.2 p-90 -93.66 24.64 3.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 107.966 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 85.0 mttt -48.08 -40.82 24.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -49.47 -23.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.612 ' CG ' ' CZ3' ' A' ' 37' ' ' TRP . 10.3 t70 -89.02 93.27 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 120' ' ' LYS . 2.1 m-85 -87.83 175.64 7.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.909 HG22 ' HA ' ' A' ' 46' ' ' ARG . 25.1 t -40.12 -29.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.235 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -40.45 -25.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.958 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -112.48 -59.14 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -132.78 106.17 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.909 ' HA ' HG22 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -71.28 -33.77 70.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.817 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -47.75 -44.18 27.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -57.28 -32.2 66.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.463 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.29 -30.36 34.17 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.58 ' HB3' HD22 ' A' ' 23' ' ' LEU . 1.1 m -79.22 -43.83 23.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -59.44 -48.21 82.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -59.88 -40.12 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -42.7 99.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.628 ' O ' HG22 ' A' ' 57' ' ' THR . 0.0 OUTLIER -65.71 -18.35 65.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 108.35 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.733 HD22 ' CB ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -53.07 -34.92 58.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.24 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.863 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -74.9 -12.39 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.637 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -15.69 -58.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.438 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 1.108 ' O ' HG22 ' A' ' 61' ' ' VAL . 10.1 mmtt -109.12 105.58 15.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 56' ' ' ALA . 4.8 mt -72.27 -15.49 61.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -29.88 61.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.108 HG22 ' O ' ' A' ' 58' ' ' LYS . 24.5 m -76.08 -36.74 31.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.72 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -83.9 -46.38 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.375 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.474 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -125.8 110.08 25.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -41.12 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 3.19 20.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.59 44.42 2.31 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 0.1 OUTLIER -50.93 -36.56 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.005 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -170.1 -174.3 1.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.48 ' N ' HD13 ' A' ' 68' ' ' LEU . 56.6 m-70 -146.04 114.13 6.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.569 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.533 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 9.7 t60 -37.95 142.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.33 -45.76 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -125.29 75.03 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.05 130.43 43.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 171.64 1.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 109.242 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.524 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 2.2 m-20 -69.75 -2.25 11.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.282 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -88.79 -46.07 9.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -63.18 -58.51 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.524 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -78.12 41.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.939 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.483 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 15.4 tptt -153.53 -53.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.379 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -5.77 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -159.54 36.36 0.47 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.529 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.75 130.51 43.85 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.578 0.811 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -69.95 140.41 53.01 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.446 1.091 . . . . 0.0 109.373 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -44.78 -33.18 1.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.3 t -77.83 -44.18 28.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.435 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.675 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.63 -26.13 55.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.439 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -63.72 -49.07 74.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.21 -47.31 9.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.553 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 24.2 mm100 -42.8 -55.57 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.675 HD22 ' SD ' ' A' ' 86' ' ' MET . 7.4 mp -46.48 -47.26 19.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.562 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.0 t -53.96 -15.44 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.483 1.115 . . . . 0.0 109.375 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -78.15 -71.03 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.638 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.13 -47.28 85.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.596 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.0 -24.02 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -75.65 -31.34 59.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.577 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.77 -23.69 35.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.572 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.7 OUTLIER -89.0 -63.88 1.23 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 4.7 tt0 -45.28 -33.1 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.41 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 12.2 pttt -73.99 -31.45 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.56 -8.82 34.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.621 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -117.5 79.95 12.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.425 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.97 173.2 14.91 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 43.2 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' A' ' 102' ' ' PRO . 6.2 t-20 -62.02 147.99 45.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.421 ' C ' ' H ' ' A' ' 107' ' ' LYS . 10.7 p-10 -53.09 -26.15 15.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 109' ' ' MET . 17.4 m-20 -83.55 29.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 105' ' ' ASP . 2.7 pttt -40.2 -29.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 106' ' ' ASP . 7.7 t -51.82 -47.24 64.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 108.3 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 106' ' ' ASP . 12.0 ttt -101.77 -7.56 22.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -90.2 -79.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.7 m -43.26 -42.91 4.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -45.91 -45.81 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.591 1.182 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.52 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 4.4 t0 -42.44 -50.97 5.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.621 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.77 -58.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.02 -22.61 0.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 120' ' ' LYS . 38.0 ttp -101.34 -35.77 9.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.606 1.192 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 0.8 OUTLIER -47.73 -45.78 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.3 OUTLIER -63.86 -51.26 65.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -62.88 -30.32 71.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -61.39 -26.3 67.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.575 ' OE2' HD11 ' A' ' 93' ' ' ILE . 43.9 mt-10 -56.66 -36.62 69.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 110.362 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.649 HD13 ' N ' ' A' ' 122' ' ' ILE . 2.2 mm -64.72 -36.21 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -46.28 -21.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 0.0 109.536 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.54 ' O ' ' O ' ' A' ' 125' ' ' LEU . 1.9 ptmt -97.88 28.84 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.753 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -45.46 -102.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.524 ' H ' HD13 ' A' ' 125' ' ' LEU . 9.8 t30 -103.2 -30.04 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.738 ' H ' HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -107.37 136.46 47.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 107.994 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.1 m -121.42 89.41 47.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 49.47 2.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -47.78 -29.32 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.2 mtt -123.87 102.57 7.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.443 1.09 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.553 ' O ' HG13 ' A' ' 134' ' ' VAL . 18.9 t70 -130.37 98.05 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.603 1.189 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.821 HD23 ' HA2' ' A' ' 136' ' ' GLY . 0.0 OUTLIER -62.63 111.61 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 132' ' ' ASP . 26.1 m -116.22 -11.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.483 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.29 -20.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.258 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.821 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 82.63 32.4 27.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.31 169.49 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 138' ' ' VAL . 12.9 m -75.65 103.38 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -175.18 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.481 ' HB3' ' CA ' ' A' ' 133' ' ' LEU . . . -110.89 165.1 12.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -70.89 92.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.621 HG23 ' HG ' ' A' ' 133' ' ' LEU . 10.4 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.575 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 7.8 mm-40 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.2 mm -57.95 -39.0 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -2.69 24.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 111.061 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -125.63 106.45 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -119.0 139.06 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.583 HD11 ' N ' ' A' ' 12' ' ' PHE . 2.2 pp -69.72 -166.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.476 ' O ' ' O ' ' A' ' 8' ' ' LEU . 25.1 m -47.78 -101.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' A' ' 12' ' ' PHE . 13.1 m-20 -124.22 -33.8 3.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.547 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -29.79 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.616 ' N ' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -110.57 -65.77 1.13 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.973 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.85 -38.82 4.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -73.87 -54.93 6.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 0.805 . . . . 0.0 109.352 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.767 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -55.96 -35.77 67.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.64 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -69.85 -48.96 56.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -67.37 -38.74 85.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 16.1 mt-30 -71.13 -42.09 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.373 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.526 ' O ' HD12 ' A' ' 25' ' ' LEU . 16.8 m -61.85 -37.76 85.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.604 1.19 . . . . 0.0 108.345 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -67.28 -5.62 14.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -112.28 -69.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -47.56 -43.68 25.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.17 . . . . 0.0 110.347 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.519 ' HB2' HD12 ' A' ' 25' ' ' LEU . 3.2 mt -98.83 -11.52 21.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.555 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.55 17.8 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.935 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.699 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.08 168.51 22.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.754 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.1 Cg_endo -75.04 119.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.392 1.733 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.585 ' HA ' HG12 ' A' ' 30' ' ' VAL . 48.0 p-10 -67.06 -1.57 4.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.427 ' H ' ' C ' ' A' ' 26' ' ' PRO . 24.2 p -81.29 -42.26 20.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 26' ' ' PRO . 12.2 m -65.32 -36.86 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 27' ' ' ASP . 11.9 p -77.68 -33.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 109.25 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 27' ' ' ASP . . . -69.88 -18.18 63.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 51.2 t0 -74.75 -31.1 61.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.195 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.619 HD12 ' NE1' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -51.77 -38.68 56.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 3' ' ' GLU . 1.6 t80 -73.12 -21.49 60.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.547 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 1.6 t30 -69.74 -73.3 0.16 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 159.61 31.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.619 ' NE1' HD12 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -94.76 25.43 4.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 108.004 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 40' ' ' ASP . 2.9 mptt -47.02 -47.71 22.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.518 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 8.6 t70 -48.66 -24.58 1.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.615 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 10.4 t70 -83.13 90.29 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 55.6 t80 -88.56 174.41 8.09 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.559 ' N ' ' CG ' ' A' ' 41' ' ' TYR . 46.5 t -38.39 -30.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' TYR . 7.9 ptt? -42.42 -24.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.55 -57.95 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.459 ' OD2' HG21 ' A' ' 29' ' ' VAL . 2.0 t70 -129.61 117.34 20.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLY . 1.8 ttt180 -78.58 -39.93 36.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.645 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -46.66 -43.11 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.26 -32.58 56.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.38 1.05 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.509 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -79.48 -30.99 42.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.135 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.94 -46.05 17.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.481 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -54.73 -47.26 74.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.466 HG22 ' C ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -59.68 -38.82 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.401 ' HA ' ' NE2' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -59.61 -47.0 87.3 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.595 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -64.24 -25.73 68.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 108.246 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.767 HD22 ' CB ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -53.19 -34.45 57.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.626 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.39 -12.54 61.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.626 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -17.58 -59.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.405 1.065 . . . . 0.0 110.424 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.645 ' O ' HG22 ' A' ' 61' ' ' VAL . 11.5 mmtt -111.36 96.12 5.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.688 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -64.13 -15.63 60.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 0.0 109.23 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -69.89 -22.8 63.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.3 m -82.32 -41.1 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.688 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.59 -45.56 21.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.417 ' HB2' ' N ' ' A' ' 67' ' ' ASN . 4.6 p30 -122.71 103.43 37.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 -42.06 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.82 1.71 16.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.83 39.52 2.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.586 1.178 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.417 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 53.1 t30 -52.84 -37.86 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.002 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -166.37 -175.95 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 39.6 m170 -146.83 118.91 8.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.54 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.557 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 10.2 t60 -42.32 140.91 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.539 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.16 -45.3 3.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -125.84 73.5 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.617 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -60.77 131.25 50.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 76' ' ' PHE . 1.3 mttt -60.64 170.76 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.59 ' HA ' ' HE1' ' A' ' 78' ' ' MET . 99.3 m-20 -72.66 5.49 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.439 ' H ' ' C ' ' A' ' 74' ' ' LYS . 2.0 t80 -105.56 -29.31 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -64.24 -78.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.806 ' HE2' ' HB2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -74.34 42.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.035 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.806 ' HB2' ' HE2' ' A' ' 78' ' ' MET . 0.6 OUTLIER -145.27 -50.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -6.42 14.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.66 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.93 23.22 2.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB1' ' CB ' ' A' ' 86' ' ' MET . . . -132.62 160.14 37.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -87.63 148.28 24.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -43.12 -27.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.36 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.512 HG22 ' HB2' ' A' ' 83' ' ' ASP . 4.7 t -69.39 -39.45 77.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.562 ' HE3' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -47.58 -37.45 12.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.452 ' N ' ' SD ' ' A' ' 86' ' ' MET . . . -52.26 -48.45 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.412 HE21 ' N ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -87.85 -52.07 5.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 21.7 mm100 -41.01 -62.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.859 HD21 ' CE1' ' A' ' 118' ' ' PHE . 4.7 mp -49.3 -45.6 45.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -55.43 -17.26 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 109.389 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 30.7 t0 -75.41 -68.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.685 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.15 -47.13 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.646 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.71 -25.47 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.586 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.0 OUTLIER -75.95 -31.99 59.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.512 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.444 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -90.03 -23.89 31.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.368 1.042 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -89.74 -62.49 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.5 tt0 -44.88 -34.94 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -72.15 -30.89 65.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.55 -8.45 31.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.027 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.592 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -117.25 80.76 12.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 104' ' ' ASN . 17.9 Cg_endo -75.2 171.37 18.42 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 43.2 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 110.969 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.445 ' CB ' ' HG2' ' A' ' 110' ' ' LYS . 6.7 t-20 -62.15 150.17 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 107' ' ' LYS . 24.0 m-20 -55.18 -21.68 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -83.66 30.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 105' ' ' ASP . 0.5 OUTLIER -39.72 -29.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.465 ' N ' ' C ' ' A' ' 106' ' ' ASP . 2.8 t -51.16 -49.53 60.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 108.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.476 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 5.7 ttt -103.53 -4.95 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.445 ' HG2' ' CB ' ' A' ' 104' ' ' ASN . 0.4 OUTLIER -88.65 -75.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.383 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.6 m -50.77 -44.91 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.711 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.58 -45.74 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.408 1.067 . . . . 0.0 109.264 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.418 ' CG ' ' OH ' ' A' ' 41' ' ' TYR . 2.2 t0 -42.08 -48.32 4.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.592 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -76.98 -50.1 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 109.227 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.48 -21.17 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.598 ' SD ' HD11 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -103.81 -35.29 8.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.92 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 1.2 t -48.57 -51.19 28.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 108.237 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.859 ' CE1' HD21 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -65.31 -37.05 85.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -68.09 -30.56 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.4 OUTLIER -62.73 -31.34 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.375 1.047 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.682 ' CD ' HG21 ' A' ' 93' ' ' ILE . 23.5 mm-40 -58.93 -28.89 66.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.252 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.651 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.6 mm -78.55 -37.81 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -46.86 -20.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.669 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.467 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 1.6 mtmp? -96.87 27.67 3.87 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.939 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -44.93 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.652 ' H ' HD13 ' A' ' 125' ' ' LEU . 2.9 t30 -106.15 -3.19 21.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.939 ' CD2' HD11 ' A' ' 125' ' ' LEU . 1.4 m0 -88.82 154.19 20.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.046 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 128' ' ' VAL . 6.3 p -97.85 118.11 64.35 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.467 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.1 Cg_endo -75.04 51.08 2.71 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.489 1.783 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -42.86 -26.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.433 ' N ' ' C ' ' A' ' 129' ' ' PRO . 4.8 ttp -93.09 101.55 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 133' ' ' LEU . 6.0 p-10 -128.17 126.31 40.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.848 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -31.97 120.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.385 1.053 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 132' ' ' ASP . 0.3 OUTLIER -115.65 8.51 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.408 1.068 . . . . 0.0 109.359 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.546 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -97.05 -11.42 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.78 32.55 21.19 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.447 1.092 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.489 ' H ' HD23 ' A' ' 133' ' ' LEU . 5.2 tm-20 -103.71 134.46 46.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 138' ' ' VAL . 14.2 m -66.44 110.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.1 tp -176.57 -75.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.768 ' HB3' HD12 ' A' ' 133' ' ' LEU . . . -78.44 165.46 23.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.198 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.4 89.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.45 ' CA ' HD11 ' A' ' 133' ' ' LEU . 8.4 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.77 HD12 ' HB1' ' A' ' 31' ' ' ALA . 6.8 mm -50.25 -37.8 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -19.5 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -111.32 104.87 13.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -120.28 138.53 53.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.552 HD11 ' HB2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -70.99 -169.36 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.241 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' LEU . 30.1 t -49.48 -101.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 12' ' ' PHE . 10.4 m-20 -124.54 -32.77 3.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.556 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -27.79 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 1.057 ' CE1' HD21 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -108.07 -63.94 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.39 -37.87 3.66 Favored Glycine 0 CA--C 1.532 1.123 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -74.48 -53.16 10.07 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.578 0.811 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.612 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -56.5 -37.05 69.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 109.263 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.721 ' CE ' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -69.41 -47.85 62.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.63 -41.93 87.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 109.247 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.2 mt-30 -69.03 -41.26 77.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 110.217 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' O ' HD12 ' A' ' 25' ' ' LEU . 10.0 m -61.82 -36.86 82.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 108.33 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.548 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -67.47 -5.89 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.24 -69.13 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -46.53 -43.75 17.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.507 ' HB2' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -99.06 -11.82 21.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.0 m 52.35 16.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.717 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.34 168.22 23.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.947 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -74.94 121.91 6.9 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 33.3 p-10 -68.61 -1.97 7.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 p -81.7 -39.58 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.947 HG22 ' O ' ' A' ' 26' ' ' PRO . 29.3 m -63.98 -36.51 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.53 HG11 ' HG3' ' A' ' 16' ' ' MET . 8.8 p -77.88 -33.3 18.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.77 ' HB1' HD12 ' A' ' 4' ' ' ILE . . . -71.93 -17.86 62.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.564 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 50.0 t0 -76.52 -29.75 56.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 33' ' ' LEU . 10.5 mt -50.81 -42.77 58.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -20.4 60.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.552 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -67.18 -73.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER 159.8 29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.564 ' CG ' ' CG ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -95.57 27.25 3.5 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 14.7 mttm -44.69 -56.69 4.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 1.177 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.614 ' CB ' ' CD2' ' A' ' 123' ' ' HIS . 0.7 OUTLIER -47.23 -25.38 0.92 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.381 1.051 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.525 ' OD1' ' CZ3' ' A' ' 37' ' ' TRP . 13.5 t0 -98.74 53.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 38' ' ' LYS . 5.1 m-85 -80.37 -170.39 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.943 HG23 ' HA ' ' A' ' 46' ' ' ARG . 2.4 p -33.93 -35.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.1 ttm -43.6 -24.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.403 1.065 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -118.76 -49.14 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -124.24 98.65 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.943 ' HA ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -58.76 -40.27 83.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.65 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.05 -43.18 19.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.226 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.37 -33.01 65.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -80.97 -28.66 44.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.57 -44.65 20.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.455 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . . . -58.39 -47.06 85.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -60.79 -39.17 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.359 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.04 -45.65 90.22 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.577 ' O ' HG22 ' A' ' 57' ' ' THR . 0.0 OUTLIER -68.37 -26.62 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 108.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.057 HD21 ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -52.64 -35.05 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -70.6 -13.07 61.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.71 -58.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.743 ' O ' HG22 ' A' ' 61' ' ' VAL . 17.0 mmtt -111.39 102.76 11.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.659 HD23 ' CD2' ' A' ' 69' ' ' HIS . 1.1 mp -72.33 -17.75 61.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.66 -32.71 74.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 58' ' ' LYS . 23.6 m -85.92 -38.21 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.439 HG12 ' OD1' ' A' ' 63' ' ' ASP . 1.4 t -72.0 -42.04 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.473 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -133.4 108.19 12.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -42.24 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -111.42 3.6 18.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.473 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.96 46.9 1.83 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -52.53 -36.93 56.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 109.389 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.017 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -173.05 -175.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.659 ' CD2' HD23 ' A' ' 59' ' ' LEU . 28.4 m80 -146.76 117.33 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.65 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.496 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 15.6 p-80 -39.28 140.92 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.476 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.88 -45.16 3.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.427 1.08 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -128.24 81.93 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.85 131.27 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -60.55 170.76 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.387 1.054 . . . . 0.0 109.225 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.502 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 12.2 m-20 -71.68 2.25 5.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 109.364 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.417 ' H ' ' C ' ' A' ' 74' ' ' LYS . 1.3 m-85 -90.06 -45.9 8.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.075 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.57 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -60.74 -58.74 7.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.215 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.502 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -80.26 41.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.951 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.481 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 4.4 tptp -155.35 -48.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 1.8 p-80 -64.81 -6.94 9.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -152.49 22.11 0.83 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.781 ' HB1' ' HG3' ' A' ' 86' ' ' MET . . . -134.01 138.46 45.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.447 ' N ' ' HB3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -69.32 151.02 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -43.86 -34.35 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 t -80.49 -42.72 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.41 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.781 ' HG3' ' HB1' ' A' ' 82' ' ' ALA . 9.1 tpp -53.86 -43.27 69.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.86 -47.65 64.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.74 -38.95 64.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.234 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 9.7 mt-30 -49.78 -53.07 27.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.762 ' O ' HD13 ' A' ' 93' ' ' ILE . 12.8 mt -47.52 -48.09 27.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.493 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 3.5 t -53.63 -18.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 2.1 m-20 -74.88 -68.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.762 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.84 -46.97 87.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.707 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -51.99 -24.96 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.381 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.52 -29.73 56.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.553 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.85 -24.91 31.12 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 100' ' ' SER . 8.8 m -90.54 -61.66 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 3.1 tt0 -45.83 -32.86 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.57 -30.68 61.81 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.408 1.067 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.562 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.65 -7.43 40.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 109.99 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.91 80.7 9.1 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.04 171.54 18.12 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 43.14 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.008 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.457 ' CB ' ' HG2' ' A' ' 110' ' ' LYS . 10.6 t-20 -62.03 150.44 38.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.623 1.202 . . . . 0.0 109.37 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 107' ' ' LYS . 77.3 m-20 -52.29 -25.16 8.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -84.36 28.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -40.31 -29.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.451 ' N ' ' C ' ' A' ' 106' ' ' ASP . 4.7 t -54.43 -49.91 68.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 106' ' ' ASP . 6.2 ptm -102.95 -4.3 24.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.457 ' HG2' ' CB ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -89.23 -79.29 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 114' ' ' VAL . 5.6 m -48.88 -44.79 40.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 110.441 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.697 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.04 -47.64 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 1.7 t0 -38.91 -56.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.506 ' HA ' ' HB2' ' A' ' 117' ' ' CYS . 1.5 p -77.96 -47.7 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.697 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -46.71 -25.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.346 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.634 ' SD ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -99.59 -31.03 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.989 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.506 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 7.2 t -40.43 -49.09 2.84 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.153 . . . . 0.0 108.277 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -67.22 -44.22 80.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -59.06 -30.42 68.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.465 ' HG3' ' CD2' ' A' ' 41' ' ' TYR . 13.1 mttt -65.26 -27.08 68.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -57.21 -34.11 68.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.766 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.3 mm -67.7 -39.88 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.614 ' CD2' ' CB ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -50.03 -16.3 0.28 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 0.0 109.58 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.492 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -95.85 24.16 5.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.863 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.82 -95.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.623 ' H ' HD13 ' A' ' 125' ' ' LEU . 4.3 m-80 -108.83 -4.53 16.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.572 1.17 . . . . 0.0 109.378 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.863 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -92.06 157.41 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 128' ' ' VAL . 22.0 m -100.48 117.72 62.38 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.1 Cg_endo -75.08 51.34 2.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.6 p30 -39.51 -30.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.455 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -101.34 100.76 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.473 ' HB2' ' CA ' ' A' ' 141' ' ' GLU . 0.4 OUTLIER -126.44 96.18 4.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.893 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -176.19 105.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.504 HG22 HD13 ' A' ' 135' ' ' ILE . 11.6 m -116.31 -14.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.504 HD13 HG22 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -107.41 -20.79 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.91 23.11 75.94 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.4 174.73 9.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 0.779 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 138' ' ' VAL . 16.1 m -65.38 102.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.5 -64.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.36 167.22 22.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.473 ' CA ' ' HB2' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -73.63 85.16 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.419 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 3.9 mt-10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.968 HG23 ' HB1' ' A' ' 31' ' ' ALA . 4.6 mm -56.64 -36.68 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.19 0.33 56.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -121.8 105.1 10.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 6.3 p-10 -123.57 146.91 47.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.915 HD22 ' HB3' ' A' ' 11' ' ' ASN . 1.4 tt -62.0 -179.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.586 ' N ' HD23 ' A' ' 8' ' ' LEU . 40.7 m -49.3 -92.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.516 ' CB ' ' HB2' ' A' ' 14' ' ' LYS . 32.7 m-20 -120.89 -35.77 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.915 ' HB3' HD22 ' A' ' 8' ' ' LEU . 3.7 t30 -38.32 -30.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.705 ' HE1' HD21 ' A' ' 55' ' ' LEU . 4.5 m-30 -113.69 -71.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.35 -34.84 3.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.138 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 15.4 ttpt -78.68 -53.79 6.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . -55.79 -44.32 77.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.43 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 30.7 mmt -67.38 -38.93 85.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.07 -35.39 74.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.506 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 9.6 mt-30 -61.47 -45.11 95.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.578 ' HB2' HD11 ' A' ' 25' ' ' LEU . 5.2 m -58.58 -43.45 89.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 108.312 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' CD ' ' HB3' ' A' ' 27' ' ' ASP . 0.5 OUTLIER -56.1 -13.92 2.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -110.45 -71.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.553 ' HG3' HD23 ' A' ' 23' ' ' LEU . 5.0 pt-20 -57.65 -34.52 69.44 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.582 1.177 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 22' ' ' GLU . 3.9 mm? -98.42 -12.63 21.19 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.431 1.082 . . . . 0.0 109.386 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER 46.0 20.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.594 1.184 . . . . 0.0 110.03 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.655 HD21 HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.64 166.73 21.34 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.761 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -75.05 122.78 7.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.474 ' HB3' ' CD ' ' A' ' 20' ' ' LYS . 20.1 p-10 -68.45 1.1 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 26' ' ' PRO . 14.3 p -83.51 -40.94 18.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 26' ' ' PRO . 15.6 m -65.4 -37.9 81.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.655 HG13 HD21 ' A' ' 25' ' ' LEU . 34.1 m -70.11 -30.49 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.968 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -68.06 -23.35 64.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -63.56 -32.51 74.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.23 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.594 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -50.73 -47.09 59.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.484 ' OH ' ' CD2' ' A' ' 12' ' ' PHE . 81.2 m-85 -58.94 -24.19 62.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 1.4 t-20 -77.47 -73.21 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER 158.62 42.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.658 ' CE3' ' C ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.92 19.65 6.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 107.935 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.622 ' C ' ' CD2' ' A' ' 123' ' ' HIS . 1.5 mttt -46.91 -59.5 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.491 ' CA ' ' HB3' ' A' ' 123' ' ' HIS . 6.9 t70 -48.05 -26.47 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.259 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.588 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 3.4 t70 -69.66 88.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.49 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 3.8 m-85 -72.85 162.04 29.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.465 ' CB ' ' HA ' ' A' ' 46' ' ' ARG . 32.6 m -40.72 -29.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.48 ' HB3' HD13 ' A' ' 139' ' ' LEU . 4.2 ptt? -41.15 -26.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -113.13 -50.18 2.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -133.91 91.39 2.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' GLY . 3.6 ttm-85 -71.54 -38.98 70.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.645 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -48.94 -43.86 40.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' HB1' ' CZ2' ' A' ' 37' ' ' TRP . . . -58.92 -26.25 64.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.5 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.1 -29.52 37.43 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -87.92 -38.92 15.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.518 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . . . -63.5 -48.72 76.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.464 HD13 HD12 ' A' ' 33' ' ' LEU . 1.9 tp -48.64 -36.75 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.08 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 50' ' ' CYS . 0.5 OUTLIER -55.48 -38.88 69.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.717 ' O ' HG22 ' A' ' 57' ' ' THR . 3.3 m -54.89 -29.78 56.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.705 HD21 ' HE1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -52.2 -32.34 35.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.254 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.608 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.47 -17.14 60.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.8 OUTLIER -19.54 -61.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.752 ' O ' HG22 ' A' ' 61' ' ' VAL . 6.9 mmtt -114.75 104.86 12.38 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.423 1.077 . . . . 0.0 109.236 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.575 HD23 ' CD2' ' A' ' 69' ' ' HIS . 1.2 mp -70.65 -20.37 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 109.345 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -35.04 79.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 58' ' ' LYS . 27.4 m -84.97 -37.88 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.38 1.05 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -45.21 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 2.7 p30 -127.1 103.92 22.99 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 -42.67 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.628 1.857 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.1 4.26 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.42 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.75 43.18 2.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 111.04 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 0.4 OUTLIER -51.12 -39.52 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.027 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.42 -174.28 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 0.0 109.354 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.575 ' CD2' HD23 ' A' ' 59' ' ' LEU . 48.4 m80 -146.12 117.37 7.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.652 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.498 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -42.1 139.37 1.37 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 109.589 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.467 ' HA2' ' CG2' ' A' ' 111' ' ' THR . . . 79.8 -46.21 3.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -126.33 83.46 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -64.55 130.6 44.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -60.43 169.39 1.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 1.0 OUTLIER -72.62 5.86 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.436 ' H ' ' C ' ' A' ' 74' ' ' LYS . 31.7 m-85 -105.05 -29.12 10.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.775 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -65.78 -77.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.637 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.24 42.97 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 111.0 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 77' ' ' ALA . 4.8 tmtt? -143.64 -55.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.38 -6.42 18.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.64 43.31 0.69 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.43 1.081 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 1.008 ' HB1' ' HG2' ' A' ' 86' ' ' MET . . . -130.56 154.67 47.59 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 0.798 . . . . 0.0 109.386 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -96.35 143.99 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.22 -31.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' ' 83' ' ' ASP . 6.0 t -74.35 -42.32 59.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.368 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 1.008 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.74 -23.59 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -59.47 -53.28 59.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.68 -44.44 9.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.216 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 92' ' ' ASP . 25.1 mm100 -42.93 -59.24 2.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.456 1.097 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.926 HD21 ' CD1' ' A' ' 118' ' ' PHE . 8.4 mp -45.49 -45.79 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.546 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.4 t -52.58 -16.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 89' ' ' GLN . 6.4 m-20 -77.55 -69.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.41 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.666 HD13 ' H ' ' A' ' 94' ' ' ILE . 0.2 OUTLIER -67.08 -47.22 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.666 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -51.64 -24.45 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.602 1.189 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.37 -32.29 58.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.551 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.24 -23.13 35.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -87.41 -64.18 1.19 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.56 -35.54 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.426 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 19.1 pttt -72.0 -31.08 65.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.5 -7.13 38.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.088 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.589 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -116.03 82.98 11.66 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.53 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.95 175.37 11.31 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.515 1.797 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 45.12 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.477 1.777 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.404 ' H ' ' C ' ' A' ' 102' ' ' PRO . 0.6 OUTLIER -62.29 143.84 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 107' ' ' LYS . 21.5 m-20 -55.88 -20.71 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 109' ' ' MET . 1.0 OUTLIER -82.28 30.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 111' ' ' THR . 5.9 pttt -40.67 -27.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' ASP . 10.3 t -62.04 -51.89 66.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.37 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.503 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -91.4 -12.14 35.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.53 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.8 OUTLIER -90.14 -67.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 12.9 m -40.93 -45.25 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.557 ' C ' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -47.44 -47.29 10.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.318 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 4.5 t0 -41.61 -53.82 3.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.589 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -80.48 -56.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.428 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -43.27 -23.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -102.78 -36.74 8.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 4.7 t -40.14 -54.14 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 108.351 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.926 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -66.67 -35.17 79.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.479 ' O ' ' CE1' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -69.22 -36.03 76.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.641 ' HA ' ' CD2' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -58.44 -31.05 67.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.426 ' OE2' ' CG ' ' A' ' 141' ' ' GLU . 8.5 mm-40 -60.43 -28.85 68.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.582 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.7 mm -82.3 -38.18 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.641 ' CD2' ' HA ' ' A' ' 120' ' ' LYS . 1.1 m-70 -47.95 -19.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.567 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -96.97 27.06 4.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.356 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.801 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.37 -95.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.616 ' H ' HD13 ' A' ' 125' ' ' LEU . 3.4 t30 -98.52 -3.71 35.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.712 ' CD2' HD11 ' A' ' 125' ' ' LEU . 1.7 m0 -90.03 153.76 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 107.997 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.2 m -108.96 117.32 54.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.463 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.3 Cg_endo -75.08 52.21 3.02 Favored 'Trans proline' 0 C--N 1.362 1.256 0 O-C-N 124.448 1.762 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 129' ' ' PRO . 5.3 t30 -39.92 -28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.244 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.463 ' N ' ' C ' ' A' ' 129' ' ' PRO . 4.3 tpp -93.2 101.17 13.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 133' ' ' LEU . 0.4 OUTLIER -122.89 127.19 48.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -34.4 114.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.242 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.461 ' H ' HD13 ' A' ' 135' ' ' ILE . 5.4 p -116.64 6.1 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.565 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -101.77 -5.05 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.235 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.38 29.13 28.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -113.34 134.85 54.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 110.341 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 16.7 m -73.52 122.45 26.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 43' ' ' MET . 0.2 OUTLIER -179.1 -41.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.787 ' HB3' ' H ' ' A' ' 133' ' ' LEU . . . -111.12 165.24 12.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.426 ' CG ' ' OE2' ' A' ' 121' ' ' GLU . 8.2 tm-20 -72.29 91.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.401 1.063 . . . . 0.0 110.306 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.494 ' C ' ' CD1' ' A' ' 133' ' ' LEU . 48.3 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.408 1.068 . . . . 0.0 109.257 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 1.3 mm-40 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 4' ' ' ILE . 5.1 mm -54.6 -38.66 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.22 1.99 42.02 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 111.09 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.595 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -109.35 106.12 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.231 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.9 p-10 -130.81 139.56 50.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.019 HD22 ' HB3' ' A' ' 11' ' ' ASN . 1.5 tt -62.25 177.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.625 ' N ' HD23 ' A' ' 8' ' ' LEU . 30.0 t -49.48 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 12' ' ' PHE . 3.9 m-20 -120.78 -38.72 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 1.019 ' HB3' HD22 ' A' ' 8' ' ' LEU . 2.9 t30 -36.24 -32.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.941 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.2 t80 -113.59 -67.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.55 -33.9 3.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 1.3 tmmt? -79.24 -53.32 7.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.606 0.827 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 19' ' ' CYS . . . -58.94 -44.3 91.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.503 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 27.3 mmt -64.51 -38.33 90.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.22 -48.57 33.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 12.8 mt-30 -66.01 -39.68 90.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.523 ' HB3' HD12 ' A' ' 23' ' ' LEU . 29.5 m -61.2 -37.05 81.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 108.34 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 24' ' ' SER . 5.9 ttpt -66.58 -5.5 11.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -69.47 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.623 1.202 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.483 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -45.75 -45.42 14.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.225 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -97.82 -11.86 22.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 51.37 18.24 0.62 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.068 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.669 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -81.47 167.9 28.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.395 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.927 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.4 Cg_endo -74.95 118.57 5.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.517 ' HA ' ' CG2' ' A' ' 30' ' ' VAL . 49.2 p-10 -66.94 -2.16 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.224 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 26' ' ' PRO . 15.8 p -81.78 -40.0 23.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 26' ' ' PRO . 31.3 m -64.25 -36.86 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.191 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.78 ' HA ' HD13 ' A' ' 33' ' ' LEU . 3.0 m -80.26 -32.45 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 27' ' ' ASP . . . -68.79 -17.54 64.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.592 1.182 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -22.47 57.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.78 HD13 ' HA ' ' A' ' 30' ' ' VAL . 8.1 mp -49.94 -50.44 46.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -54.51 -20.54 7.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.433 ' C ' ' CD2' ' A' ' 36' ' ' PHE . 1.4 t-20 -85.99 -71.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CD2' ' C ' ' A' ' 35' ' ' ASN . 2.5 p90 -176.32 69.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.695 ' CZ2' ' CB ' ' A' ' 48' ' ' ALA . 12.0 t-105 -92.13 -3.21 55.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 108.073 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.8 -58.51 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.597 ' CB ' ' CD2' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -68.03 -32.22 72.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.387 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.64 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.9 t0 -68.21 100.95 1.09 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.463 ' C ' ' N ' ' A' ' 43' ' ' MET . 26.2 t80 -101.22 163.11 12.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.861 HG13 ' HA ' ' A' ' 46' ' ' ARG . 92.2 t -40.24 -28.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.463 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -43.73 -23.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.955 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.43 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -107.32 -55.98 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.527 ' OD2' HG21 ' A' ' 29' ' ' VAL . 1.4 t0 -136.72 115.63 12.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.861 ' HA ' HG13 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -77.11 -38.28 52.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.684 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.22 -43.55 21.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.695 ' CB ' ' CZ2' ' A' ' 37' ' ' TRP . . . -55.97 -32.35 63.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.527 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -81.19 -23.3 59.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.656 1.222 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -88.14 -43.95 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.605 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -63.78 -48.64 76.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 48' ' ' ALA . 0.8 OUTLIER -50.33 -47.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -42.34 78.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.637 ' O ' HG22 ' A' ' 57' ' ' THR . 0.5 OUTLIER -57.93 -29.29 65.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.941 HD11 ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -53.28 -33.11 51.82 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.618 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -74.76 -13.82 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.637 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -18.53 -59.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.592 ' O ' HG22 ' A' ' 61' ' ' VAL . 6.3 mttm -112.49 92.48 4.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.361 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.639 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -57.97 -16.16 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.77 -24.11 64.39 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.503 1.127 . . . . 0.0 109.38 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.4 m -80.06 -41.97 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.639 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.63 -45.65 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.8 p-10 -122.99 104.03 36.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -42.09 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.24 0.7 15.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.46 39.33 2.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -53.51 -37.96 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 109.257 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.989 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -166.34 -174.97 3.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 40.4 m170 -146.01 120.37 9.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.52 ' CG ' ' CB ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -45.04 143.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.587 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.71 -45.27 2.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -127.69 75.83 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -64.15 129.67 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 76' ' ' PHE . 3.9 mtpt -61.38 171.13 1.51 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.505 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 70.0 m-20 -71.11 0.81 6.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.21 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.448 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 4.9 t80 -91.42 -40.53 11.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.584 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -63.52 -58.98 5.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.599 ' C ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -81.36 39.59 0.53 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 111.06 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.2 tmtp? -154.76 -53.23 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -65.67 -6.96 12.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.632 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.87 23.74 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.627 ' HB1' ' HG2' ' A' ' 86' ' ' MET . . . -131.59 160.15 36.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.683 ' H ' ' HE3' ' A' ' 86' ' ' MET . 1.8 m-20 -78.89 141.14 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -45.2 -34.46 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.439 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 10.7 t -80.47 -45.68 17.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.683 ' HE3' ' H ' ' A' ' 83' ' ' ASP . 1.8 ttp -54.09 -42.81 69.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -53.26 -47.12 69.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.458 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.5 OUTLIER -75.95 -47.36 25.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 92' ' ' ASP . 20.6 mm100 -44.06 -55.17 4.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.597 1.186 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.18 HD21 ' CE1' ' A' ' 118' ' ' PHE . 1.9 mp -46.16 -45.97 16.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.574 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 7.2 t -52.98 -16.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 89' ' ' GLN . 46.6 t0 -76.44 -69.2 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.678 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.33 -47.03 85.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.67 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -52.26 -24.68 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.218 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.6 m170 -77.02 -28.69 55.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -92.22 -25.6 21.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 100' ' ' SER . 4.6 m -90.67 -65.07 1.05 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -45.75 -31.6 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.363 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 95' ' ' HIS . 3.0 pttt -75.93 -30.6 58.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.561 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.26 -9.35 36.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -118.13 79.63 14.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.438 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.95 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.645 1.866 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 42.92 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 107' ' ' LYS . 3.4 t-20 -61.57 150.57 35.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 107' ' ' LYS . 3.0 m-20 -49.2 -29.13 5.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 109' ' ' MET . 8.9 m-20 -84.65 28.04 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' ASN . 19.9 pttm -40.4 -29.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 106' ' ' ASP . 1.8 t -51.98 -48.34 64.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.479 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 1.3 ttp -103.01 -4.0 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.485 ' O ' ' HB1' ' A' ' 101' ' ' ALA . 1.0 OUTLIER -89.36 -79.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.324 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.428 ' O ' HG13 ' A' ' 114' ' ' VAL . 7.1 m -48.13 -44.44 32.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.09 -47.51 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 1.3 t0 -39.9 -57.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.468 HG21 ' HB2' ' A' ' 98' ' ' GLU . 1.5 p -76.98 -48.64 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.674 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -45.63 -26.16 0.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.56 ' HG3' HD11 ' A' ' 112' ' ' ILE . 1.8 mmt -103.11 -31.95 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 8.8 t -42.38 -55.24 3.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 1.18 ' CE1' HD21 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -66.28 -34.52 78.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 111.006 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 116' ' ' MET . 6.4 mmtt -57.16 -30.2 64.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.185 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -67.75 -32.91 73.85 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -59.17 -29.19 67.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.899 HD11 ' CE1' ' A' ' 118' ' ' PHE . 3.0 mm -63.7 -39.35 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.597 ' CD2' ' CB ' ' A' ' 39' ' ' ASP . 14.8 t60 -49.29 -20.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.508 ' O ' ' O ' ' A' ' 125' ' ' LEU . 5.0 mttm -97.97 27.0 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.989 HD11 ' CE2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.26 -99.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.66 ' H ' HD13 ' A' ' 125' ' ' LEU . 9.5 t30 -98.23 -31.05 12.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.989 ' CE2' HD11 ' A' ' 125' ' ' LEU . 4.2 p-90 -103.48 134.56 46.64 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.629 1.206 . . . . 0.0 107.988 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 128' ' ' VAL . 9.9 p -93.92 113.87 61.65 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.591 ' HG3' ' CD2' ' A' ' 123' ' ' HIS . 18.2 Cg_endo -75.0 49.33 2.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -41.77 -30.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.441 ' O ' ' CG ' ' A' ' 131' ' ' MET . 0.0 OUTLIER -94.75 108.61 20.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -129.22 119.12 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.86 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.51 109.79 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.438 HG12 HD13 ' A' ' 135' ' ' ILE . 2.3 p -116.92 -5.56 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.57 -20.33 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.71 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 81.25 23.76 58.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.559 1.162 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -123.58 173.98 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -75.43 117.78 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.397 1.06 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 140' ' ' ALA . 0.5 OUTLIER 177.4 -49.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.603 ' N ' HD23 ' A' ' 139' ' ' LEU . . . -103.85 162.34 13.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.601 1.188 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.25 90.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.235 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.741 HD12 ' HB1' ' A' ' 31' ' ' ALA . 6.2 mm -50.63 -40.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -25.21 63.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.62 109.57 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -116.04 138.07 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.898 HD22 ' N ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -72.26 -164.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.898 ' N ' HD22 ' A' ' 8' ' ' LEU . 29.7 t -52.78 -105.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.632 ' O ' ' N ' ' A' ' 12' ' ' PHE . 5.2 m-20 -130.26 -30.2 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.603 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -23.35 -44.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 1.132 ' CD2' HD11 ' A' ' 55' ' ' LEU . 20.3 m-85 -107.82 -62.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CE ' ' A' ' 16' ' ' MET . . . -41.04 -32.21 0.56 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.395 1.06 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -80.2 -51.29 9.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -60.81 -45.06 95.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.633 ' HE2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -65.36 -35.92 82.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.401 1.063 . . . . 0.0 110.947 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.633 ' N ' ' HE2' ' A' ' 16' ' ' MET . 7.4 t0 -70.87 -49.23 48.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.236 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.459 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.7 mt-30 -68.68 -31.49 70.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.498 ' O ' HD12 ' A' ' 25' ' ' LEU . 2.5 m -65.89 -35.73 81.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.345 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.3 OUTLIER -67.24 -5.39 13.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.507 1.13 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 -68.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -48.47 -42.87 33.94 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.528 ' HB2' HD12 ' A' ' 25' ' ' LEU . 2.2 mt -98.71 -11.73 21.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.63 17.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.948 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.689 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.05 167.42 30.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.779 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.5 Cg_endo -75.05 119.19 5.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.797 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.468 ' HB2' ' CG ' ' A' ' 16' ' ' MET . 54.9 p-10 -68.48 0.08 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 26' ' ' PRO . 4.0 p -81.61 -39.88 23.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.933 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 26' ' ' PRO . 14.5 m -64.74 -37.14 79.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.533 HG11 ' CB ' ' A' ' 51' ' ' ALA . 13.4 m -74.96 -32.37 27.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.741 ' HB1' HD12 ' A' ' 4' ' ' ILE . . . -68.78 -19.05 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.536 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 2.0 t0 -69.43 -25.26 64.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.593 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -57.82 -49.06 77.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.392 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -21.13 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.549 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 1.2 m120 -82.54 -72.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 35' ' ' ASN . 0.0 OUTLIER 160.84 41.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.656 ' CE3' ' C ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -92.16 19.01 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 108.061 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.642 ' O ' ' CE2' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -43.44 -58.2 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.484 ' HA ' ' CG ' ' A' ' 123' ' ' HIS . 26.8 p-10 -47.4 -35.32 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.506 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 15.1 t0 -84.41 81.91 8.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.642 ' CE2' ' O ' ' A' ' 38' ' ' LYS . 72.3 m-85 -98.92 -172.69 2.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 46' ' ' ARG . 18.0 m -35.86 -34.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.163 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.3 ptp -40.8 -25.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -120.81 -49.4 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 110.442 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.461 ' OD2' HG21 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -126.46 99.35 5.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.506 ' HA ' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -62.53 -43.68 98.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.671 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.47 -43.39 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.39 64.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.518 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -80.35 -30.81 39.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.049 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.31 -45.48 19.59 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.533 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -56.54 -48.49 77.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -56.47 -38.69 57.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.532 1.145 . . . . 0.0 109.389 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.58 92.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.539 ' O ' HG22 ' A' ' 57' ' ' THR . 0.4 OUTLIER -63.02 -26.73 68.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 1.189 . . . . 0.0 108.294 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.132 HD11 ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -51.95 -34.91 44.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.61 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -68.4 -14.28 62.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.61 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -19.9 -57.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.601 ' O ' HG22 ' A' ' 61' ' ' VAL . 7.5 mmtt -111.79 87.78 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.638 1.211 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.593 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -54.99 -17.74 4.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -67.05 -23.22 65.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.375 1.047 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.8 m -79.72 -42.09 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.593 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.77 -46.25 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -124.4 110.43 28.49 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.396 1.06 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -41.08 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.787 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.45 3.2 17.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 100.64 45.62 1.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.403 ' H ' ' CB ' ' A' ' 63' ' ' ASP . 2.1 t30 -53.0 -35.77 59.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 0.787 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.979 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.13 -173.57 1.8 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 109.39 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.534 ' N ' HD13 ' A' ' 68' ' ' LEU . 18.9 m-70 -143.41 116.68 9.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.605 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.529 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 5.4 t60 -40.92 141.58 0.58 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.557 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.07 -45.33 3.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -128.54 82.77 2.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 0.72 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.49 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.49 130.05 41.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.551 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -61.67 171.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.504 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 4.0 m-20 -71.04 1.6 5.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.551 ' CE2' ' HG2' ' A' ' 74' ' ' LYS . 9.1 m-85 -91.35 -44.06 9.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.657 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -61.43 -58.93 6.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.532 ' C ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -80.21 39.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.465 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 12.9 tttt -154.13 -54.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.61 1.194 . . . . 0.0 109.203 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.455 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -67.61 -6.22 19.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.591 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.74 25.0 0.73 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.145 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.532 ' HB3' ' C ' ' A' ' 78' ' ' MET . . . -131.06 134.34 46.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.93 143.71 52.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -42.77 -34.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.443 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 10.9 t -80.45 -43.48 20.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.503 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 7.8 ttm -52.82 -43.14 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -52.17 -46.99 65.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.443 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.2 OUTLIER -74.73 -43.28 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.235 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.0 mm100 -47.33 -54.55 10.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.752 ' O ' HD13 ' A' ' 93' ' ' ILE . 13.4 mt -46.51 -47.74 19.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.388 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.486 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.0 t -52.87 -18.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 33.1 t0 -74.55 -68.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.83 -46.63 88.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.437 1.086 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.689 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -51.98 -24.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.11 -30.57 58.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -87.7 -24.03 37.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -87.68 -63.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.65 -35.58 4.22 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 2.5 pttt -71.61 -31.31 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.32 -6.84 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.996 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.68 84.7 12.92 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.582 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.5 Cg_endo -74.94 175.92 10.58 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.93 46.38 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.42 143.09 58.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -56.18 -19.53 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.246 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.2 OUTLIER -81.56 31.27 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -41.67 -25.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.398 1.061 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 106' ' ' ASP . 32.3 t -61.5 -51.31 69.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 3.1 ptm -98.51 -9.02 25.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.582 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.49 -69.15 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.415 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 7.1 m -49.14 -43.36 41.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.729 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.37 -47.38 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.422 1.076 . . . . 0.0 109.212 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -41.75 -53.19 3.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.381 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.491 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -74.84 -49.13 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.12 -22.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.582 ' HG3' ' CD1' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -103.46 -36.86 7.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 3.5 t -40.23 -45.94 2.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.414 1.072 . . . . 0.0 108.254 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.1 OUTLIER -66.99 -50.92 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -30.19 70.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.61 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -59.15 -28.58 66.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -60.37 -29.78 69.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.663 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.7 mm -75.94 -38.79 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.596 ' CE1' ' HG3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -48.3 -18.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.663 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.471 ' N ' ' C ' ' A' ' 122' ' ' ILE . 39.5 mttt -95.95 25.64 4.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.753 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -44.12 -94.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.644 ' H ' HD13 ' A' ' 125' ' ' LEU . 10.4 t30 -96.14 -22.03 17.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.606 ' CD1' ' N ' ' A' ' 127' ' ' TRP . 0.0 OUTLIER -90.48 138.7 31.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 30.8 m -121.28 117.06 30.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.596 ' HG3' ' CE1' ' A' ' 123' ' ' HIS . 18.1 Cg_endo -75.04 51.48 2.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 129' ' ' PRO . 2.7 t30 -39.06 -31.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.438 ' N ' ' C ' ' A' ' 129' ' ' PRO . 6.3 mtt -104.38 100.39 10.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.78 114.3 15.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.837 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -63.05 112.02 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.541 HG12 HD13 ' A' ' 135' ' ' ILE . 6.1 p -116.07 -11.8 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.541 HD13 HG12 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -106.39 -20.33 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.796 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 79.88 30.26 43.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -121.14 168.71 11.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 0.743 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 138' ' ' VAL . 34.1 m -65.85 106.62 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 tt -176.14 -45.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 133' ' ' LEU . . . -106.72 164.84 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.98 91.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 142' ' ' VAL . 11.0 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.571 ' OE2' ' CE1' ' A' ' 34' ' ' TYR . 19.9 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 5.3 mm -52.08 -37.64 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.55 -14.92 19.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.9 104.59 12.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 7.0 p-10 -121.4 151.11 40.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.85 HD22 ' HB2' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -59.77 176.29 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 m -49.98 -91.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' PHE . 7.1 m-20 -118.09 -36.7 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.85 ' HB2' HD22 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -35.14 -34.33 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.718 ' CZ ' HD21 ' A' ' 55' ' ' LEU . 15.4 m-85 -115.17 -67.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.423 ' HA3' ' ND2' ' A' ' 7' ' ' ASN . . . -43.13 -34.11 2.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 2.0 tmmt? -80.2 -51.14 9.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -58.5 -43.19 88.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.535 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 15.4 mmt -68.73 -39.57 80.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -69.05 -48.61 62.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 14.8 mt-30 -66.04 -36.06 82.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.531 ' O ' HD12 ' A' ' 25' ' ' LEU . 10.7 m -62.48 -36.29 82.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 108.33 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -66.98 -6.9 18.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -68.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.364 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -48.48 -42.48 32.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.538 ' HB2' HD12 ' A' ' 25' ' ' LEU . 4.2 mt -98.35 -12.12 21.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.371 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 51.27 16.92 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.726 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.53 166.13 38.1 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.745 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -75.03 119.54 5.68 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.519 1.8 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.545 ' HA ' HG22 ' A' ' 30' ' ' VAL . 46.7 p-10 -68.08 -0.26 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 26' ' ' PRO . 22.6 p -82.03 -41.2 21.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 26' ' ' PRO . 11.4 m -65.35 -36.72 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.592 HG13 HD21 ' A' ' 25' ' ' LEU . 34.2 m -76.42 -31.83 21.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.488 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.44 -16.14 63.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.416 ' HB3' ' CB ' ' A' ' 37' ' ' TRP . 23.5 t0 -79.29 -26.59 42.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.573 ' HG ' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -50.54 -50.58 52.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.571 ' CE1' ' OE2' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -61.44 -21.51 64.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.468 ' OD1' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -84.85 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.211 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.4 p90 174.11 44.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.589 ' O ' ' CD2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.4 0.83 57.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -44.79 -55.19 5.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.478 ' CA ' ' HB2' ' A' ' 123' ' ' HIS . 7.9 t70 -56.13 -35.47 67.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.557 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 11.9 t0 -71.48 83.21 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.513 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 69.8 t80 -82.09 173.91 11.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.881 HG13 ' HB2' ' A' ' 46' ' ' ARG . 39.4 t -39.59 -30.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.448 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.7 OUTLIER -41.38 -26.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.438 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -114.8 -54.77 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.543 ' OD2' HG21 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -131.82 102.89 6.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.881 ' HB2' HG13 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -65.53 -42.81 91.56 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.571 1.169 . . . . 0.0 110.256 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -48.21 -43.33 31.92 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.591 1.182 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.513 ' HB1' ' CE2' ' A' ' 37' ' ' TRP . . . -56.54 -28.65 60.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.503 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.4 -27.54 43.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.105 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.55 -46.54 9.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.577 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -54.47 -47.96 72.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.562 HD13 HD12 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -54.19 -48.58 66.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.4 ' N ' HG23 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -58.44 -42.36 87.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.393 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -58.38 -24.85 61.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.718 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -52.48 -34.22 48.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.621 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.4 -12.82 60.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -17.68 -60.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.724 ' O ' HG22 ' A' ' 61' ' ' VAL . 9.0 mmtm -113.27 103.35 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.484 HD11 ' HB1' ' A' ' 56' ' ' ALA . 1.2 mp -71.43 -19.83 62.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.28 -34.89 79.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 58' ' ' LYS . 31.2 m -84.37 -38.43 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.75 -44.85 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.46 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -129.72 107.68 17.03 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.447 1.761 . . . . 0.0 111.046 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -110.56 4.27 20.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.96 47.25 1.93 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -52.04 -37.65 54.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.021 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.07 -174.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.536 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 17.0 m-70 -146.39 116.16 7.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.593 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -39.72 141.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.63 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.48 -44.95 2.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -130.32 85.19 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -64.58 130.21 42.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 171.6 1.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.514 1.134 . . . . 0.0 109.204 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.536 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 2.3 m-20 -70.8 0.59 6.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -87.1 -46.31 9.9 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -65.07 -58.67 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.536 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -76.92 42.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.486 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 6.7 tptt -152.99 -55.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.411 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -69.3 -5.72 24.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.627 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -161.16 46.7 0.38 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.765 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.26 138.32 49.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -88.05 146.96 25.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -43.51 -32.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.7 t -77.87 -44.58 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.765 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -55.91 -23.96 34.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -58.09 -57.04 14.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.66 -43.31 10.82 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 25.3 mm100 -41.3 -61.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.787 HD21 ' CD1' ' A' ' 118' ' ' PHE . 11.1 mp -48.75 -45.34 39.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.594 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -58.1 -20.49 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 31.9 t0 -70.58 -70.03 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.715 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.0 -46.54 93.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.247 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.546 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mm -53.5 -26.46 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.594 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.7 m170 -76.49 -31.47 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.406 ' CA ' ' HG2' ' A' ' 99' ' ' LYS . . . -90.03 -24.65 29.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.606 1.191 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 100' ' ' SER . 12.5 m -89.54 -64.67 1.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -45.49 -32.44 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 110.272 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 95' ' ' HIS . 10.5 ptpt -75.36 -31.06 60.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.2 -6.06 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -114.47 84.3 9.58 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.573 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -74.99 175.92 10.6 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.09 48.29 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.472 ' CB ' ' OD1' ' A' ' 106' ' ' ASP . 78.6 m-20 -62.65 150.83 39.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 107' ' ' LYS . 76.1 m-20 -57.04 -28.98 63.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.388 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 109' ' ' MET . 33.4 p-10 -81.64 32.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.167 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.496 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 8.3 pttt -41.5 -26.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 106' ' ' ASP . 41.9 t -63.2 -52.2 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.49 ' C ' HG22 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -90.51 -10.0 45.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.573 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -89.03 -66.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.598 1.186 . . . . 0.0 109.231 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.722 ' O ' ' N ' ' A' ' 115' ' ' ALA . 9.6 m -43.19 -46.6 6.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -47.6 -46.88 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.373 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 1.3 t70 -42.08 -58.56 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.539 ' HA ' ' HB2' ' A' ' 117' ' ' CYS . 0.9 OUTLIER -84.44 -49.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.722 ' N ' ' O ' ' A' ' 111' ' ' THR . . . -47.89 -24.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 112' ' ' ILE . 1.1 ttm -103.08 -27.6 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.539 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 11.0 t -40.2 -53.62 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 108.359 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.787 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -67.12 -44.09 80.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -58.12 -29.52 65.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.357 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.1 OUTLIER -65.42 -26.83 68.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -53.44 -34.33 57.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.762 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.2 mm -70.5 -37.27 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.478 ' HB2' ' CA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -50.03 -15.5 0.21 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.639 1.212 . . . . 0.0 109.605 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.49 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 20.5 mttt -96.35 25.31 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.781 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.16 -93.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.57 ' H ' HD13 ' A' ' 125' ' ' LEU . 3.3 t30 -109.31 -4.06 16.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.557 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.9 OUTLIER -90.6 155.57 18.76 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 128' ' ' VAL . 7.3 m -100.1 117.41 63.29 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.49 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.4 Cg_endo -75.03 51.27 2.75 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.553 1.817 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.9 t30 -39.24 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.442 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -108.48 100.97 10.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.944 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.461 ' C ' ' HB1' ' A' ' 140' ' ' ALA . 13.3 t0 -130.32 125.45 34.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.849 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -55.1 130.02 40.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.407 ' HB ' HD13 ' A' ' 135' ' ' ILE . 50.4 t -114.14 -58.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.467 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.41 -11.05 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.19 27.41 36.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.064 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.89 175.6 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.741 . . . . 0.0 110.355 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.415 ' H ' HG12 ' A' ' 138' ' ' VAL . 1.4 p -64.07 100.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 8.6 tt -174.53 -63.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.255 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 133' ' ' LEU . . . -95.5 164.31 12.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.226 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.85 87.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 140' ' ' ALA . 1.9 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 109.365 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 4' ' ' ILE . 3.4 mm -60.15 -38.15 75.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.645 1.215 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.91 -0.05 49.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.503 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 2.6 tttt -117.82 106.45 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 4.2 p-10 -118.6 140.04 50.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.635 HD22 ' HB2' ' A' ' 11' ' ' ASN . 1.1 tt -59.44 177.79 0.18 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.497 ' N ' HD23 ' A' ' 8' ' ' LEU . 58.2 m -48.63 -95.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -116.98 -35.74 4.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.635 ' HB2' HD22 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -35.08 -36.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.178 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 10' ' ' ASN . 21.7 m-85 -114.34 -66.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.73 -33.64 1.1 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 14.8 ttpt -79.84 -53.35 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.8 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.849 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -60.19 -42.81 95.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.617 ' HG3' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -62.06 -42.67 99.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.088 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.97 -46.8 70.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 13.1 mt-30 -67.15 -40.18 86.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.497 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.5 m -60.87 -38.44 85.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 108.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.4 OUTLIER -66.85 -5.22 11.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.072 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.16 -69.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.488 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -45.49 -45.53 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 50' ' ' CYS . 0.2 OUTLIER -98.37 -11.44 22.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 51.32 18.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.676 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.0 166.74 35.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.715 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.2 Cg_endo -74.98 119.86 5.83 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' HA ' HG22 ' A' ' 30' ' ' VAL . 45.1 p-10 -67.93 0.3 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 26' ' ' PRO . 14.6 p -81.51 -42.05 20.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 26' ' ' PRO . 11.5 m -65.23 -36.99 79.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.646 HG11 ' CB ' ' A' ' 51' ' ' ALA . 16.8 m -74.95 -31.91 26.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -67.91 -16.73 64.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.071 . . . . 0.0 109.24 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -66.5 -37.48 85.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 4.2 tp -47.78 -50.73 24.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.503 ' CE2' ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -52.07 -22.8 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.948 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.529 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 1.1 t30 -85.74 -70.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.529 ' CG ' ' C ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER 162.57 44.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 111.082 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.668 ' CE3' ' C ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.52 15.77 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 108.09 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.691 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 7.9 ptmt -45.27 -59.74 2.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.502 ' HA ' ' ND1' ' A' ' 123' ' ' HIS . 8.2 p-10 -47.16 -35.29 7.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.611 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 8.6 t70 -72.6 82.58 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.583 1.177 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.55 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 47.7 t80 -80.49 172.39 13.82 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.459 1.099 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.829 HG22 ' HA ' ' A' ' 46' ' ' ARG . 3.2 t -38.68 -30.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -43.08 -23.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.61 -54.54 2.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.403 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.408 ' OD2' HG21 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -131.32 104.5 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.829 ' HA ' HG22 ' A' ' 42' ' ' VAL . 1.2 ttm180 -67.18 -43.27 82.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.649 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.22 -42.82 20.91 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.43 ' HA ' HG12 ' A' ' 30' ' ' VAL . . . -57.56 -33.23 67.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -78.89 -31.69 42.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.529 ' HB3' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -79.97 -45.22 18.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.646 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -56.61 -50.03 73.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -59.44 -41.34 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.06 -41.5 98.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.966 ' O ' HG23 ' A' ' 57' ' ' THR . 0.1 OUTLIER -68.82 -27.98 66.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 108.373 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.858 ' O ' HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -41.29 -28.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.646 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -63.16 -11.16 18.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.966 HG23 ' O ' ' A' ' 54' ' ' CYS . 23.3 p -12.46 -64.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.605 1.191 . . . . 0.0 110.46 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 1.101 ' O ' HG22 ' A' ' 61' ' ' VAL . 2.6 tptt -117.78 94.96 4.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.7 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -54.69 -15.53 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.604 1.19 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 58' ' ' LYS . 17.4 t0 -71.06 -24.83 62.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.101 HG22 ' O ' ' A' ' 58' ' ' LYS . 17.7 m -80.03 -37.39 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.7 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -84.7 -45.88 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.5 p30 -123.05 103.61 36.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -42.71 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.18 2.71 16.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.53 39.71 2.52 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.419 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 0.5 OUTLIER -52.38 -42.32 63.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 0.713 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.986 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -165.63 -176.47 3.93 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.155 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.521 ' N ' HD13 ' A' ' 68' ' ' LEU . 7.2 m-70 -145.97 115.91 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -41.97 141.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.642 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.11 -45.4 3.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -129.43 81.29 2.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.53 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.42 130.54 43.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.223 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -61.42 171.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.524 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 5.9 m-20 -70.25 0.48 6.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 74' ' ' LYS . 44.9 m-85 -90.28 -45.42 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.602 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -61.74 -58.85 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.524 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -79.16 40.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.069 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.474 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 1.4 tttm -154.43 -56.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.455 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -66.5 -6.67 15.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.573 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -157.85 36.8 0.54 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.561 1.163 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.32 131.07 45.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.385 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.89 141.53 49.52 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.391 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.3 -32.99 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 t -77.45 -44.69 28.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.407 1.067 . . . . 0.0 110.418 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.727 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.78 -27.31 59.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.445 1.09 . . . . 0.0 111.034 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -61.24 -47.28 86.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.692 ' NE2' ' C ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -87.69 -51.71 5.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.1 mm100 -38.93 -56.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.801 HD21 ' CD1' ' A' ' 118' ' ' PHE . 8.5 mp -46.85 -46.03 20.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.588 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 9.0 t -52.36 -17.71 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 37.8 t0 -75.57 -69.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.674 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.48 -46.79 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.661 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -52.09 -24.11 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.588 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.19 -30.85 58.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.635 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.29 -24.07 35.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.21 -63.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -45.21 -33.31 2.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.423 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 11.8 ptpt -74.01 -31.66 63.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.07 -7.55 39.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.561 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -115.76 84.99 13.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.566 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.96 176.05 10.41 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.59 1.837 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -74.93 45.74 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.661 1.874 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.457 ' N ' ' HD2' ' A' ' 110' ' ' LYS . 2.0 t-20 -62.46 140.5 58.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.643 1.214 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' A' ' 107' ' ' LYS . 3.7 m-20 -57.39 -17.61 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.5 OUTLIER -79.28 34.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 109.254 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 105' ' ' ASP . 2.6 mttp -40.66 -26.03 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 106' ' ' ASP . 12.9 t -60.47 -51.27 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -104.61 -4.47 22.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.566 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.57 -69.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.097 . . . . 0.0 109.244 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.3 m -52.16 -42.65 63.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -46.64 -47.51 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.82 -53.39 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -79.11 -49.12 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.366 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.66 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -46.88 -23.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.474 ' CG ' HD11 ' A' ' 112' ' ' ILE . 1.7 mmt -105.02 -36.32 7.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.2 t -42.06 -53.73 3.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 108.384 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.801 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.58 -42.45 91.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 110.926 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.574 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.7 OUTLIER -60.34 -29.13 68.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.536 ' HA ' ' CE1' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -58.81 -30.22 67.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -60.9 -29.29 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.227 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.712 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.2 mm -76.78 -40.78 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.423 1.077 . . . . 0.0 109.379 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.691 ' CD2' ' HB2' ' A' ' 38' ' ' LYS . 2.6 m170 -49.55 -17.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.605 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.485 ' CD ' ' HG3' ' A' ' 129' ' ' PRO . 0.9 OUTLIER -96.53 26.27 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.906 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -44.33 -94.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.619 ' H ' HD13 ' A' ' 125' ' ' LEU . 3.0 t30 -109.33 -3.52 17.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 109.32 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.906 ' CD2' HD11 ' A' ' 125' ' ' LEU . 1.2 m0 -89.04 152.19 21.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.1 p -95.89 116.95 66.57 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.339 1.024 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.485 ' HG3' ' CD ' ' A' ' 124' ' ' LYS . 18.3 Cg_endo -74.94 50.46 2.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.5 p30 -40.01 -28.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.47 ' N ' ' C ' ' A' ' 129' ' ' PRO . 12.6 mmt -94.43 103.35 15.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 134' ' ' VAL . 9.0 t0 -127.5 126.95 43.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.513 HD13 ' H ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -60.97 81.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 132' ' ' ASP . 8.6 p -116.21 3.8 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.067 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.505 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.85 -20.55 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.513 ' H ' HD13 ' A' ' 133' ' ' LEU . . . 77.04 24.16 67.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.437 1.086 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.436 ' O ' HD21 ' A' ' 133' ' ' LEU . 0.2 OUTLIER -127.67 149.29 50.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 110.252 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 138' ' ' VAL . 14.6 m -65.01 108.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -174.91 -61.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.76 165.15 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.462 ' HG3' ' CE ' ' A' ' 43' ' ' MET . 3.0 mt-10 -69.6 88.32 0.5 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.58 1.175 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.42 HG22 ' HG ' ' A' ' 133' ' ' LEU . 65.0 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' LYS . 2.2 tp10 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.803 HD12 ' HB1' ' A' ' 31' ' ' ALA . 4.5 mm -55.96 -36.67 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -29.19 68.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 111.01 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -109.45 106.44 16.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.9 p-10 -118.33 147.81 43.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.223 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 11' ' ' ASN . 0.4 OUTLIER -60.04 -173.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.478 ' H ' HD23 ' A' ' 8' ' ' LEU . 15.2 t -59.8 -91.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.941 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' PHE . 74.7 m-20 -119.59 -38.17 3.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.791 ' HB3' HD22 ' A' ' 8' ' ' LEU . 1.7 t30 -34.36 -35.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.76 ' CD1' HD11 ' A' ' 55' ' ' LEU . 5.1 m-85 -114.73 -68.62 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' ' CE ' ' A' ' 16' ' ' MET . . . -44.26 -37.17 4.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 4.8 ttpt -81.19 -45.47 16.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.229 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.722 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -60.63 -46.24 91.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.681 ' HE2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -67.53 -36.65 81.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.681 ' N ' ' HE2' ' A' ' 16' ' ' MET . 8.3 t70 -71.24 -48.77 49.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.4 mt-30 -67.39 -32.2 72.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.582 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.3 m -64.12 -39.64 94.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 108.363 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 24' ' ' SER . 4.3 ttpt -65.16 -5.67 7.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 0.0 109.313 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.05 -69.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 1.8 pt-20 -47.65 -45.78 28.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 51' ' ' ALA . 63.9 mt -99.02 -10.6 22.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.576 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.52 18.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.661 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -81.9 168.93 20.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.784 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.2 Cg_endo -74.99 120.98 6.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.792 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.472 ' HB2' ' CG ' ' A' ' 16' ' ' MET . 42.4 p-10 -67.86 0.54 3.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 26' ' ' PRO . 30.3 p -81.95 -39.79 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.784 HG22 ' O ' ' A' ' 26' ' ' PRO . 15.8 m -64.85 -37.86 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.474 ' CG1' ' HG3' ' A' ' 16' ' ' MET . 9.1 p -73.83 -31.76 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.803 ' HB1' HD12 ' A' ' 4' ' ' ILE . . . -67.31 -23.67 65.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -62.64 -29.52 70.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.61 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 17.0 tp -51.45 -49.27 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 31' ' ' ALA . 20.0 m-85 -65.98 -23.43 66.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 1.5 t30 -84.37 -70.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 168.07 69.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 111.025 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.611 ' CZ3' ' HB1' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -91.56 8.26 37.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 1.176 . . . . 0.0 108.039 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -43.7 -58.23 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.403 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.565 ' HB2' ' CE1' ' A' ' 123' ' ' HIS . 0.3 OUTLIER -67.4 -33.48 75.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.187 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -69.64 93.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.358 1.036 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.52 ' HH ' ' CG ' ' A' ' 113' ' ' ASP . 11.8 t80 -98.4 156.88 16.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.819 HG13 ' CB ' ' A' ' 46' ' ' ARG . 33.3 t -39.94 -29.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -39.9 -26.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.956 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -109.8 -52.19 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.401 ' OD1' HD23 ' A' ' 47' ' ' LEU . 11.5 t70 -134.35 105.62 6.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.819 ' CB ' HG13 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -71.73 -33.36 68.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.821 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -47.72 -44.93 28.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.611 ' HB1' ' CZ3' ' A' ' 37' ' ' TRP . . . -56.83 -31.63 64.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.518 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -83.38 -30.09 31.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.567 1.167 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.81 -45.05 21.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HA ' HD12 ' A' ' 23' ' ' LEU . . . -53.43 -46.9 69.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -58.33 -39.21 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.361 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.52 -46.51 80.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.59 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -63.19 -30.21 71.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 108.317 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.76 HD11 ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -53.95 -33.38 56.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.616 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.5 -13.28 61.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.208 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.616 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.97 -59.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.437 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.659 ' O ' HG22 ' A' ' 61' ' ' VAL . 53.9 mmtt -113.18 93.13 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.646 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -57.95 -15.98 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -23.28 62.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.5 m -81.5 -42.04 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.646 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.26 -45.54 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.485 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -124.12 109.93 29.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -41.38 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.02 -0.55 16.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.382 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 104.73 46.12 1.32 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -53.57 -36.28 61.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.488 0.758 . . . . 0.0 109.355 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.002 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -167.27 -173.98 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.595 1.184 . . . . 0.0 109.285 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.491 ' CD2' HD23 ' A' ' 59' ' ' LEU . 26.8 m80 -144.9 116.68 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -40.43 140.18 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.649 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.03 -45.8 3.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -122.7 73.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 0.8 . . . . 0.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.647 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -62.09 130.8 47.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.407 ' O ' ' SD ' ' A' ' 78' ' ' MET . 6.5 mmtt -60.38 171.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.484 ' O ' ' CE ' ' A' ' 78' ' ' MET . 22.7 m-20 -71.0 0.88 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 74' ' ' LYS . 6.0 m-85 -101.16 -34.91 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.681 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -53.73 -76.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.73 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.16 42.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.8 OUTLIER -141.24 -50.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -5.27 22.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -144.64 23.09 2.0 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.431 1.082 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.505 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -132.37 160.26 36.84 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.597 0.822 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -85.55 143.38 28.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -39.86 -30.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.503 HG22 ' CG ' ' A' ' 83' ' ' ASP . 1.6 t -66.5 -40.6 89.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.46 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.564 ' N ' ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -46.82 -37.63 8.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -48.78 -48.93 40.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.35 -45.92 7.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' A' ' 92' ' ' ASP . 2.3 mt-30 -43.56 -60.67 1.66 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 93' ' ' ILE . 9.4 mp -45.28 -45.18 11.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.539 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 3.2 t -53.14 -16.02 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.369 1.043 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' GLN . 1.1 m-20 -77.9 -69.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.745 HG21 ' OE2' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -65.83 -47.16 86.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.661 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -52.23 -24.83 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.229 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.47 -31.78 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.5 -24.12 31.88 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.067 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -88.82 -63.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.6 tt0 -45.31 -33.34 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.25 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.4 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 21.4 pttt -74.77 -31.54 61.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.0 -6.0 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.565 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -114.65 83.92 9.5 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.597 1.186 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.55 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.1 Cg_endo -75.09 176.5 9.85 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.414 1.744 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.439 ' HA ' ' NZ ' ' A' ' 110' ' ' LYS . 18.5 Cg_endo -74.92 46.7 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.811 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.33 140.96 58.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.634 1.209 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 107' ' ' LYS . 52.5 m-20 -57.03 -17.78 11.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.2 m-20 -80.47 33.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.486 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -40.18 -26.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.498 ' N ' ' C ' ' A' ' 106' ' ' ASP . 12.9 t -60.31 -51.35 69.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 108.257 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -103.6 -4.65 23.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.2 OUTLIER -88.76 -72.35 0.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.6 m -52.01 -44.23 64.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.456 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.729 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -47.77 -43.53 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.52 ' CG ' ' HH ' ' A' ' 41' ' ' TYR . 2.1 t70 -43.61 -54.18 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.565 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -72.58 -49.81 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.37 -21.9 1.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.614 ' SD ' HD11 ' A' ' 112' ' ' ILE . 1.9 tpt -101.21 -36.51 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.2 t -43.86 -48.58 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.307 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.643 ' CD1' HD21 ' A' ' 90' ' ' LEU . 1.1 t80 -65.78 -38.86 90.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -29.63 70.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 123' ' ' HIS . 0.1 OUTLIER -62.22 -29.65 70.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.745 ' OE2' HG21 ' A' ' 93' ' ' ILE . 27.1 mm-40 -60.81 -27.53 68.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.692 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.9 mm -73.34 -38.04 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 39' ' ' ASP . 0.8 OUTLIER -46.41 -18.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.645 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.477 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.3 OUTLIER -93.83 25.11 3.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.586 1.178 . . . . 0.0 109.37 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.731 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -48.88 -96.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.39 1.057 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.682 ' H ' HD13 ' A' ' 125' ' ' LEU . 28.0 m-80 -98.63 -25.23 14.79 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.387 1.054 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.623 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -90.43 139.04 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.162 . . . . 0.0 107.983 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.18 117.58 68.57 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.522 ' HB3' ' CD2' ' A' ' 123' ' ' HIS . 18.5 Cg_endo -74.91 51.38 2.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' PRO . 42.8 t30 -39.04 -30.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.443 ' N ' ' C ' ' A' ' 129' ' ' PRO . 1.1 ttt -96.21 100.78 12.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.553 ' O ' ' HB1' ' A' ' 140' ' ' ALA . 4.4 m-20 -130.15 118.68 21.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.88 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -175.95 106.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.411 ' CG1' HD13 ' A' ' 135' ' ' ILE . 13.8 p -116.06 -14.68 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.485 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.8 -19.51 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.424 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 70.1 33.21 69.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.409 1.068 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -130.27 173.42 10.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 0.8 . . . . 0.0 110.319 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 138' ' ' VAL . 14.6 m -73.25 99.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.1 tp -178.9 -41.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.553 ' HB1' ' O ' ' A' ' 132' ' ' ASP . . . -90.81 166.19 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 132' ' ' ASP . 0.3 OUTLIER -73.6 84.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' GLU . 58.6 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.513 ' HB3' ' CG ' ' A' ' 34' ' ' TYR . 2.3 mm-40 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.903 HG23 ' HB1' ' A' ' 31' ' ' ALA . 4.6 mm -56.37 -38.53 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.378 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -0.09 53.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.55 105.48 10.87 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.082 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 4.9 p-10 -119.98 143.44 48.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.841 HD22 ' HB2' ' A' ' 11' ' ' ASN . 1.7 tt -61.65 177.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.554 ' N ' HD23 ' A' ' 8' ' ' LEU . 45.3 m -48.72 -90.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -117.45 -36.88 3.61 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.841 ' HB2' HD22 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -35.41 -34.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.519 ' HA ' HD21 ' A' ' 55' ' ' LEU . 12.1 m-85 -113.39 -69.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.86 -32.89 1.02 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 3.6 tmmm? -80.14 -52.67 7.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.831 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -60.29 -44.42 95.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.536 ' CE ' HG21 ' A' ' 30' ' ' VAL . 23.1 mmt -63.64 -39.28 93.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -74.54 -37.58 62.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 15.1 mt-30 -72.68 -40.91 65.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.186 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.553 ' O ' HD12 ' A' ' 25' ' ' LEU . 87.8 m -62.52 -37.09 84.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.343 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -66.85 -6.75 17.55 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.609 1.193 . . . . 0.0 109.261 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.34 -69.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 1.9 pt-20 -47.57 -43.66 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.685 HD13 ' HB3' ' A' ' 50' ' ' CYS . 24.8 mt -98.7 -11.82 21.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.37 1.044 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.536 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER 51.77 17.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.715 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.53 165.87 39.62 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.647 1.217 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.848 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.5 Cg_endo -75.0 120.72 6.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.398 1.736 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.408 ' CG ' ' HD2' ' A' ' 20' ' ' LYS . 32.2 p-10 -68.48 0.54 3.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.434 ' H ' ' C ' ' A' ' 26' ' ' PRO . 22.1 p -82.4 -40.1 21.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 26' ' ' PRO . 20.0 m -62.68 -37.94 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.536 HG21 ' CE ' ' A' ' 16' ' ' MET . 8.4 p -74.45 -30.27 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.903 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -66.76 -29.84 69.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -59.92 -23.75 63.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.647 HD23 ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -59.06 -51.04 71.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.513 ' CG ' ' HB3' ' A' ' 3' ' ' GLU . 0.3 OUTLIER -51.7 -24.62 5.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.498 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 2.4 m-20 -85.71 -72.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.498 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 9.8 p90 176.64 59.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.659 ' CE3' ' C ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.42 19.17 6.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -55.56 -55.71 28.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' CA ' ' HB2' ' A' ' 123' ' ' HIS . 23.4 t0 -64.93 -29.13 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -69.35 82.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.857 ' CE1' HG22 ' A' ' 42' ' ' VAL . 12.0 t80 -78.71 155.01 29.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.857 HG22 ' CE1' ' A' ' 41' ' ' TYR . 27.0 m -40.05 -30.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.451 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.9 OUTLIER -41.79 -25.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.905 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -111.24 -52.34 2.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.079 . . . . 0.0 110.34 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.6 91.15 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.947 ' HG3' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.84 -33.52 75.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.947 HD13 ' HG3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -50.31 -43.23 53.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.575 1.172 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.62 ' HB1' ' CD1' ' A' ' 37' ' ' TRP . . . -56.86 -32.71 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' HG13 ' A' ' 112' ' ' ILE . . . -83.37 -28.99 34.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 111.066 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.685 ' HB3' HD13 ' A' ' 23' ' ' LEU . 1.2 m -79.53 -45.62 18.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.543 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . . . -53.98 -48.2 70.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.566 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -65.25 -34.51 71.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -49.01 76.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' THR . 0.4 OUTLIER -67.13 -18.84 65.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.331 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.831 HD22 ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -52.47 -36.34 54.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.647 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.98 -12.38 60.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -14.26 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.666 ' O ' HG22 ' A' ' 61' ' ' VAL . 6.4 tptt -113.2 95.98 5.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 70' ' ' HIS . 0.8 OUTLIER -61.65 -16.63 50.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.373 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -68.68 -22.11 64.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.4 m -83.0 -40.66 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.708 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -80.9 -44.44 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 63' ' ' ASP . 4.1 p30 -121.55 103.71 40.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -43.05 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.404 1.739 . . . . 0.0 110.98 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -112.44 1.86 16.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.76 38.89 2.28 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.438 1.086 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.41 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 56.6 t30 -57.05 -33.95 67.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.934 HD22 ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -162.87 -178.02 5.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.934 ' N ' HD22 ' A' ' 68' ' ' LEU . 8.8 m-70 -151.97 120.53 6.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.584 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.779 ' HB2' HD11 ' A' ' 59' ' ' LEU . 44.3 t60 -47.29 139.05 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.73 -44.73 2.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -125.85 82.68 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.35 130.62 44.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.394 1.059 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 170.67 1.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.535 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 5.8 m-20 -70.73 -2.91 16.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -89.16 -46.74 8.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 111.075 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.556 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -62.79 -58.2 8.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.535 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -78.3 41.22 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 111.011 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.498 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -154.06 -52.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.556 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -68.61 -5.95 22.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.68 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -156.89 29.27 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.68 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.6 137.8 48.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.156 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.94 142.27 43.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 109.234 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -46.08 -33.28 3.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.4 1.062 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.2 t -77.23 -43.38 33.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.68 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -55.69 -25.13 38.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -62.79 -51.37 67.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.383 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.441 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -81.67 -47.78 12.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.615 1.197 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.9 mm100 -42.99 -61.23 1.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.919 HD21 ' CD1' ' A' ' 118' ' ' PHE . 10.3 mp -48.41 -45.56 36.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.1 t -52.92 -19.52 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 7.8 m-20 -73.33 -68.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.9 -47.2 83.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 109.211 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.665 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -51.95 -25.08 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.368 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 0.7 OUTLIER -76.06 -31.38 58.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.588 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.434 ' C ' HG21 ' A' ' 142' ' ' VAL . . . -88.31 -23.79 36.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -87.95 -63.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.66 -33.74 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.355 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.421 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 0.0 OUTLIER -73.81 -31.06 63.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.59 -8.48 34.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.032 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.3 80.42 12.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.88 173.87 13.72 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.502 1.791 . . . . 0.0 111.065 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 43.23 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.559 1.82 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' A' ' 102' ' ' PRO . 10.4 t-20 -61.13 150.11 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 107' ' ' LYS . 6.3 m-20 -55.12 -21.88 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' MET . 4.9 m-20 -83.84 29.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 105' ' ' ASP . 17.6 mtmt -40.8 -29.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 106' ' ' ASP . 4.7 t -55.17 -49.43 71.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 108.284 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -102.24 -4.51 25.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -90.2 -79.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.0 m -47.0 -44.36 20.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.749 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.2 -45.0 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.228 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 1.3 t70 -44.99 -45.83 10.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -74.7 -54.29 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.87 -20.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.658 ' CE ' ' CZ2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -103.52 -35.72 8.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 2.4 t -43.57 -53.92 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.354 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.919 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -65.97 -36.64 83.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -30.71 70.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.593 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.1 OUTLIER -63.99 -33.77 76.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 7.5 mm-40 -58.94 -30.07 67.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.625 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.8 mm -81.64 -36.42 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -47.23 -20.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.551 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -96.51 27.13 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.229 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.794 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.8 -95.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.626 ' H ' HD13 ' A' ' 125' ' ' LEU . 3.0 t30 -99.02 -2.17 37.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.767 ' CD2' HD11 ' A' ' 125' ' ' LEU . 2.1 m0 -88.99 156.46 18.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 6.8 m -85.21 118.95 71.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.38 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.427 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.5 Cg_endo -75.0 50.34 2.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -43.46 -27.02 0.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.427 ' N ' ' C ' ' A' ' 129' ' ' PRO . 2.1 ttm -94.2 100.67 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.33 125.01 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.226 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -45.58 113.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 135' ' ' ILE . 4.9 p -115.82 -13.36 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.563 HD13 HG12 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -106.35 -21.06 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.773 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 69.11 31.52 72.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 111.05 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.6 174.75 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 0.815 . . . . 0.0 110.298 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 138' ' ' VAL . 16.4 m -69.66 100.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 173.33 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.168 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.448 ' CB ' ' HA ' ' A' ' 133' ' ' LEU . . . -111.03 166.16 11.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.63 90.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 97' ' ' CYS . 12.5 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.546 ' N ' HD13 ' A' ' 4' ' ' ILE . 3.4 mm -56.42 -38.41 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.387 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.5 ttp -98.44 -5.99 31.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.48 105.41 11.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.368 1.043 . . . . 0.0 109.239 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -119.69 138.7 53.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.794 HD12 ' N ' ' A' ' 9' ' ' SER . 3.2 pp -71.81 -167.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.794 ' N ' HD12 ' A' ' 8' ' ' LEU . 6.4 t -48.94 -100.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.04 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.593 ' O ' ' N ' ' A' ' 12' ' ' PHE . 4.0 m-20 -125.55 -34.98 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.612 ' ND2' HD13 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -28.72 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.678 ' CD2' ' CE ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -108.43 -64.17 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.94 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.84 -38.37 4.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.419 1.075 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -51.41 20.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -55.57 -42.08 74.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.678 ' CE ' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.16 -49.1 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.058 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -66.52 -41.13 89.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 14.6 mt-30 -69.22 -40.95 77.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.483 ' O ' HD12 ' A' ' 25' ' ' LEU . 2.2 m -60.64 -37.99 83.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.338 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -67.92 -5.17 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.623 1.202 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.99 -69.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -45.25 -44.71 11.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.496 ' HB2' HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -98.69 -11.68 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 51.54 18.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 110.055 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.695 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -84.04 167.94 24.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.983 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -75.05 120.36 6.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.398 1.736 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' HB2' ' CD ' ' A' ' 20' ' ' LYS . 5.4 t0 -67.22 -2.59 6.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 26' ' ' PRO . 15.3 p -81.54 -39.9 23.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.983 HG22 ' O ' ' A' ' 26' ' ' PRO . 32.2 m -62.94 -36.02 73.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 p -78.87 -31.45 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.587 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . -69.83 -17.27 63.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.568 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 54.9 t0 -77.06 -32.85 57.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.444 HD23 ' NE1' ' A' ' 37' ' ' TRP . 9.8 mt -50.77 -39.54 52.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.587 ' CE2' ' HA ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -74.5 -20.83 59.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -67.39 -73.45 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.367 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 161.08 28.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.599 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -95.33 26.5 3.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.008 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.606 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 27.7 mttm -43.46 -53.05 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.579 ' CG ' ' CE1' ' A' ' 123' ' ' HIS . 53.5 t0 -47.08 -35.72 7.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.599 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 20.8 t0 -89.07 76.91 7.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.606 ' CD2' ' O ' ' A' ' 38' ' ' LYS . 6.5 m-85 -97.33 -169.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' TYR . 30.9 m -32.53 -36.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -39.5 -27.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -119.68 -49.6 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.457 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.04 98.46 5.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -61.93 -40.42 95.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.249 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.644 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.26 -43.76 22.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.229 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.68 -31.84 62.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.492 ' HA3' ' CG1' ' A' ' 42' ' ' VAL . . . -82.19 -29.49 37.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.522 1.139 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.2 -45.32 20.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.461 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -56.63 -47.65 79.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.634 1.209 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -61.45 -39.17 81.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.451 ' CG ' ' CE1' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -59.63 -46.07 90.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -67.24 -20.44 65.67 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.552 1.158 . . . . 0.0 108.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.654 HD11 ' CD1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -53.56 -34.84 59.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.883 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -72.74 -12.0 60.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.12 -60.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.654 ' O ' HG22 ' A' ' 61' ' ' VAL . 4.3 mmtt -111.43 104.94 13.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.178 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 56' ' ' ALA . 3.2 mt -71.5 -23.07 61.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.26 -34.41 76.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 58' ' ' LYS . 30.7 m -88.67 -39.43 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.44 -44.06 94.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.441 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -128.53 104.42 19.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -42.23 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.542 1.812 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.07 4.08 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.441 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 97.95 45.72 2.38 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.02 -41.24 59.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.354 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.011 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -171.01 -174.21 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.534 ' N ' HD13 ' A' ' 68' ' ' LEU . 68.1 m80 -146.44 120.97 9.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.591 1.182 . . . . 0.0 109.615 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.477 ' HB2' ' CB ' ' A' ' 56' ' ' ALA . 10.0 t-160 -44.86 139.79 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.6 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 -45.75 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.088 . . . . 0.0 111.074 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -125.03 77.18 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.605 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -62.49 131.57 49.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -60.73 171.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.518 ' C ' ' HE1' ' A' ' 78' ' ' MET . 39.4 m-20 -71.72 1.55 6.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.405 ' H ' ' C ' ' A' ' 74' ' ' LYS . 4.6 m-85 -102.61 -29.42 11.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.651 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -56.02 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.595 1.184 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.773 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.41 42.48 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 111.086 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -140.91 -50.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.088 . . . . 0.0 109.357 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -69.25 -5.39 22.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 0.0 109.567 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.59 22.92 1.5 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.435 1.084 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -133.44 157.92 44.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -90.47 148.89 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -42.83 -29.66 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -67.6 -37.86 83.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.45 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.593 ' HE3' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -49.29 -38.4 27.16 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 0.0 110.964 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.46 ' N ' ' SD ' ' A' ' 86' ' ' MET . . . -47.5 -47.24 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.676 ' NE2' ' C ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -93.74 -51.98 4.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.401 1.063 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.564 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.3 mt-30 -39.14 -56.39 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.675 HD11 ' CD1' ' A' ' 118' ' ' PHE . 6.6 mp -47.54 -48.39 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.232 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.567 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 3.2 t -53.32 -14.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 31.9 t0 -79.41 -69.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.731 HG21 ' OE2' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -67.21 -47.53 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.653 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -51.7 -24.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.32 -32.41 58.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.667 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.477 ' HA2' ' CE ' ' A' ' 99' ' ' LYS . . . -90.13 -24.12 30.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.6 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -88.53 -63.15 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 4.9 tt0 -45.12 -34.81 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.383 1.052 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.477 ' CE ' ' HA2' ' A' ' 96' ' ' GLY . 0.6 OUTLIER -73.81 -30.14 62.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.45 -7.92 33.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -116.9 80.87 11.52 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.453 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.5 Cg_endo -74.97 174.07 13.41 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.433 1.754 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 41.0 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.556 1.819 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.453 ' H ' ' C ' ' A' ' 102' ' ' PRO . 6.2 t-20 -62.3 146.64 50.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.389 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 107' ' ' LYS . 83.3 m-20 -55.47 -21.72 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.5 OUTLIER -83.88 29.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 105' ' ' ASP . 2.3 ptmt -40.34 -29.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.452 ' N ' ' C ' ' A' ' 106' ' ' ASP . 5.8 t -51.46 -47.81 63.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.9 ptt? -102.22 -6.98 22.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.075 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -90.03 -79.62 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.0 m -45.36 -44.68 11.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.767 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.41 -44.44 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 6.4 t0 -45.74 -47.74 15.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.595 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -75.08 -56.63 8.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.362 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -47.67 -21.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.538 ' HG3' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -102.14 -35.81 8.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.413 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 1.9 t -45.39 -54.92 6.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.393 1.058 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.675 ' CD1' HD11 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -64.34 -36.04 82.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 110.942 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -62.09 -30.31 70.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.055 . . . . 0.0 109.36 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -63.07 -27.58 69.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.731 ' OE2' HG21 ' A' ' 93' ' ' ILE . 48.4 mm-40 -58.18 -27.8 64.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.676 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.4 mm -80.44 -41.83 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.613 1.196 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.579 ' CE1' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -47.1 -22.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.577 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -97.19 28.92 3.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.848 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.16 -93.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.617 ' H ' HD13 ' A' ' 125' ' ' LEU . 3.3 t30 -112.37 -3.83 14.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.848 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -90.79 153.39 20.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 108.014 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.7 p -91.86 117.87 67.97 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.515 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.0 Cg_endo -75.1 50.31 2.52 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.64 -32.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 129' ' ' PRO . 1.5 ttt -97.34 101.62 13.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.408 1.067 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.481 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.8 OUTLIER -126.9 95.36 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.811 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -174.98 133.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.432 ' HB ' HD13 ' A' ' 135' ' ' ILE . 51.3 t -115.36 -58.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.5 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.13 -5.52 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.48 30.93 23.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -125.69 175.24 7.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 110.349 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.519 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -68.22 112.2 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.447 HD11 ' O ' ' A' ' 96' ' ' GLY . 0.4 OUTLIER -176.71 -50.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 132' ' ' ASP . . . -78.95 165.08 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.83 84.39 0.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.484 ' HG2' ' CD1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.524 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 4.8 mm -56.48 -37.36 51.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.67 -7.83 39.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -110.11 106.02 15.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -118.94 139.67 51.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -70.18 -169.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 8' ' ' LEU . 28.9 t -49.32 -101.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.052 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.619 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -123.77 -31.15 3.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.588 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -29.54 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.787 ' HA ' HD21 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -108.22 -67.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.961 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.15 -34.23 2.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 34.8 ttpt -77.26 -55.72 5.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 0.773 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.917 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -59.49 -43.65 93.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 109.375 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.634 ' CE ' HD23 ' A' ' 55' ' ' LEU . 30.3 mmt -62.21 -38.76 90.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.051 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.45 -40.9 85.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.092 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.9 mt-30 -72.56 -39.92 67.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.515 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 96.8 m -63.32 -34.77 78.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 108.356 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -68.25 -7.27 29.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.94 -68.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.515 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -46.04 -42.58 13.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.547 ' HB2' HD12 ' A' ' 25' ' ' LEU . 3.0 mt -98.33 -12.85 21.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.498 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 2.8 m 53.29 16.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.616 1.198 . . . . 0.0 109.989 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.756 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -84.08 165.91 36.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.368 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.972 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.6 Cg_endo -74.92 121.49 6.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.603 1.844 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 31.8 p-10 -69.2 -1.18 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.396 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -83.28 -39.7 20.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.972 HG22 ' O ' ' A' ' 26' ' ' PRO . 26.9 m -61.16 -36.31 71.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.589 HG11 ' SD ' ' A' ' 16' ' ' MET . 11.0 p -77.13 -32.88 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.524 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -75.67 -28.27 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -70.43 -18.45 63.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.95 HD21 ' HB1' ' A' ' 48' ' ' ALA . 20.6 mt -57.36 -49.79 75.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.484 ' CD1' ' HG2' ' A' ' 3' ' ' GLU . 1.7 m-85 -51.34 -26.45 7.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 110.976 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.566 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 17.0 t30 -69.22 -58.06 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 14.0 m-85 -170.88 80.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.798 ' CD2' HD22 ' A' ' 33' ' ' LEU . 4.4 t90 -89.11 15.78 8.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.482 ' HB3' ' CA ' ' A' ' 123' ' ' HIS . 1.8 mptt -76.32 -64.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.4 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.62 ' CG ' ' CE1' ' A' ' 123' ' ' HIS . 59.6 t0 -73.38 -36.03 66.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.241 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -69.31 101.74 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.522 ' CD2' ' HB2' ' A' ' 43' ' ' MET . 6.3 t80 -102.92 148.44 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 46' ' ' ARG . 1.7 t -40.54 -28.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.522 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -48.6 -19.97 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.91 -48.64 2.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -127.64 95.17 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.535 ' HA ' HG22 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -77.1 -41.84 40.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.676 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -46.5 -44.4 17.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.95 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -57.13 -33.77 67.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.482 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -77.33 -22.71 69.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -87.46 -40.74 14.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.564 ' O ' ' SG ' ' A' ' 54' ' ' CYS . . . -56.86 -48.14 78.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.217 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.491 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -66.24 -36.04 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -49.3 76.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.97 ' O ' HG23 ' A' ' 57' ' ' THR . 3.2 p -70.5 -31.75 68.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.172 . . . . 0.0 108.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.917 HD22 ' HB3' ' A' ' 15' ' ' ALA . 1.5 tm? -40.97 -28.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.72 ' HB1' ' CD1' ' A' ' 59' ' ' LEU . . . -62.67 -11.76 19.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.97 HG23 ' O ' ' A' ' 54' ' ' CYS . 25.4 p -14.08 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.623 ' O ' HG22 ' A' ' 61' ' ' VAL . 10.9 mmtm -114.61 94.69 4.89 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.572 1.17 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.72 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 1.1 mp -59.38 -15.77 18.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -68.62 -24.22 64.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.6 m -79.78 -41.15 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.641 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.73 -45.68 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 59' ' ' LEU . 5.4 p-10 -123.48 105.41 33.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -42.76 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.55 1.816 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.01 3.56 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.41 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 101.82 39.91 2.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 2.5 t30 -52.25 -37.11 54.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 0.782 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.009 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.83 -174.83 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.536 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 23.6 m-70 -146.93 112.91 5.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.405 1.066 . . . . 0.0 109.654 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' HIS . 2.4 t60 -39.05 140.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.522 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.02 -45.1 3.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -130.03 80.24 1.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.741 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -59.52 131.39 50.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 170.33 1.54 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.471 ' O ' ' CE ' ' A' ' 78' ' ' MET . 10.8 m-20 -72.29 0.5 9.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -101.05 -30.12 11.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.785 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -58.91 -76.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.731 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -73.99 43.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.518 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.1 OUTLIER -142.31 -54.61 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.408 ' NE2' ' OD1' ' A' ' 67' ' ' ASN . 0.2 OUTLIER -71.14 -5.21 29.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.628 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.82 44.06 0.57 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.821 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.84 134.19 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' A' ' 86' ' ' MET . 4.2 m-20 -74.86 144.6 43.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.411 1.07 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -44.85 -33.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.2 t -77.31 -43.81 31.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.822 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -55.34 -23.06 21.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.438 ' HA ' ' CE ' ' A' ' 86' ' ' MET . . . -60.44 -52.7 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -44.93 8.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.193 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 24.2 mm100 -41.71 -62.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.853 HD21 ' CE1' ' A' ' 118' ' ' PHE . 10.8 mp -49.15 -44.84 43.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -54.85 -17.67 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 0.0 109.322 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 32.4 t0 -75.09 -68.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.72 HG21 ' CD ' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -67.19 -47.25 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.604 1.19 . . . . 0.0 109.359 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.666 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.61 -24.86 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -75.89 -30.58 58.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.16 -24.31 34.88 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.598 1.186 . . . . 0.0 111.005 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.7 OUTLIER -90.28 -61.01 1.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 8.9 tm-20 -45.81 -33.52 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -73.42 -31.0 63.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.8 -8.75 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.056 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.619 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -117.77 79.01 12.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.423 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.0 172.1 17.04 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 43.95 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 102' ' ' PRO . 5.6 t-20 -60.61 150.34 32.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 107' ' ' LYS . 1.5 m-20 -52.5 -29.32 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.9 OUTLIER -83.57 29.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.238 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 105' ' ' ASP . 4.8 pttt -40.71 -29.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.432 ' N ' ' C ' ' A' ' 106' ' ' ASP . 13.0 t -51.45 -46.61 63.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 108.274 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 18.4 ttt -101.45 -7.76 22.57 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -89.74 -79.11 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.253 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 114' ' ' VAL . 6.5 m -44.75 -44.74 9.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.347 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.774 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.5 -44.39 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 0.6 OUTLIER -44.64 -43.47 8.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.102 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.619 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -75.25 -54.61 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.95 -20.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.699 ' HE2' ' CG ' ' A' ' 37' ' ' TRP . 3.2 tpt -101.54 -35.78 9.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 2.5 t -46.9 -51.55 16.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 108.258 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.853 ' CE1' HD21 ' A' ' 90' ' ' LEU . 3.1 t80 -65.58 -33.48 76.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -70.84 -30.38 66.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -67.98 -36.65 80.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.355 1.035 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.72 ' CD ' HG21 ' A' ' 93' ' ' ILE . 53.9 mm-40 -55.72 -27.7 51.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' A' ' 125' ' ' LEU . 3.5 mm -66.3 -36.64 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.62 ' CE1' ' CG ' ' A' ' 39' ' ' ASP . 21.4 t-160 -45.29 -19.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.69 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.485 ' N ' ' C ' ' A' ' 122' ' ' ILE . 29.3 mtmt -93.36 25.51 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.743 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -51.97 -100.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.635 ' H ' HD13 ' A' ' 125' ' ' LEU . 25.1 t30 -94.92 -31.58 13.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.61 ' H ' HD13 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -98.89 134.39 41.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.494 1.121 . . . . 0.0 108.003 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 68.5 t -105.6 116.76 59.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.355 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.583 ' HG3' ' CE1' ' A' ' 123' ' ' HIS . 18.2 Cg_endo -75.04 49.89 2.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.542 1.812 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -43.04 -35.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.3 ttt -105.71 108.82 20.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -120.03 124.55 46.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.876 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -41.49 114.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.507 HG12 HD13 ' A' ' 135' ' ' ILE . 7.3 p -116.08 -10.6 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.524 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.92 -21.02 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.781 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 76.73 31.86 52.33 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -132.13 171.34 13.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 0.755 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 138' ' ' VAL . 15.7 m -64.81 115.88 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 172.92 -54.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.68 164.48 23.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -70.62 85.14 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.506 HG21 ' HB3' ' A' ' 133' ' ' LEU . 76.5 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 5.6 mm-40 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.511 HG23 ' HB1' ' A' ' 31' ' ' ALA . 4.5 mm -57.47 -37.5 58.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -5.22 26.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.5 104.18 8.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 4.3 p-10 -123.58 142.08 51.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.012 HD12 ' HB3' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -58.86 171.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.748 ' H ' HD13 ' A' ' 8' ' ' LEU . 58.7 m -47.67 -85.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 12' ' ' PHE . 30.8 m120 -120.98 -38.74 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 1.012 ' HB3' HD12 ' A' ' 8' ' ' LEU . 2.1 t30 -33.8 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.56 ' CD1' HD21 ' A' ' 55' ' ' LEU . 9.2 m-85 -115.39 -68.64 0.91 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.95 -35.33 0.94 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 3.7 tmmm? -81.99 -51.77 7.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 0.757 . . . . 0.0 109.369 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.733 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -56.93 -43.72 81.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.58 1.175 . . . . 0.0 109.229 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.534 ' SD ' ' CG2' ' A' ' 30' ' ' VAL . 18.4 mmt -67.58 -42.15 83.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -68.53 -46.96 68.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.06 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 11.8 mt-30 -65.23 -37.67 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.49 ' HB3' HD12 ' A' ' 23' ' ' LEU . 7.6 m -61.74 -37.92 86.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 108.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -66.97 -6.88 18.58 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.368 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.86 -69.06 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 0.7 OUTLIER -48.39 -41.95 30.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 19' ' ' CYS . 2.7 mt -98.48 -11.62 22.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 50.64 16.56 0.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.769 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.27 169.97 15.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.826 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.4 Cg_endo -74.89 121.6 6.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 0.0 111.053 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.601 ' O ' HG22 ' A' ' 30' ' ' VAL . 9.8 t70 -68.43 0.13 4.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 26' ' ' PRO . 32.2 p -79.99 -42.12 24.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 26' ' ' PRO . 34.1 m -65.13 -35.39 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 27' ' ' ASP . 2.8 m -72.97 -40.36 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.511 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -68.88 -19.45 64.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.567 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 66.0 t0 -70.33 -33.83 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.48 ' N ' ' HE1' ' A' ' 37' ' ' TRP . 12.1 mt -53.25 -33.25 52.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -73.61 -22.05 60.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -68.81 -73.14 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.536 ' CB ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 160.14 28.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 1.195 . . . . 0.0 110.985 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -95.04 25.43 4.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.618 ' O ' ' CE2' ' A' ' 41' ' ' TYR . 5.3 mttp -45.02 -52.41 8.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.54 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 2.9 p-10 -46.57 -33.0 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.601 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 10.2 t0 -83.61 85.75 7.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 38' ' ' LYS . 96.7 m-85 -99.53 -169.99 1.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.761 HG22 ' HA ' ' A' ' 46' ' ' ARG . 24.4 t -33.76 -35.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.243 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -38.94 -27.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -117.69 -53.46 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -128.41 110.83 12.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.761 ' HA ' HG22 ' A' ' 42' ' ' VAL . 1.8 tmm_? -70.0 -41.48 74.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.65 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.72 -44.06 27.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.244 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.17 70.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.517 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -80.62 -31.58 36.26 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.16 -45.83 17.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -55.11 -47.08 75.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -56.87 -38.94 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.552 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -63.03 -44.36 96.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.618 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -63.12 -21.27 66.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.591 1.182 . . . . 0.0 108.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.733 HD22 ' HB3' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -52.97 -35.42 58.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.882 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -74.95 -12.53 60.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.65 -60.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.653 ' O ' HG22 ' A' ' 61' ' ' VAL . 33.8 mmtt -111.92 95.53 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.882 HD23 ' O ' ' A' ' 56' ' ' ALA . 8.6 mt -60.39 -15.54 27.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.34 -23.24 62.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.219 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.4 m -81.77 -41.83 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.634 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.89 -46.66 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 p30 -123.32 106.26 33.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -41.36 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.54 -0.79 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 104.92 41.54 1.95 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.665 ' OD1' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -52.01 -35.49 46.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.975 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -168.94 -174.52 2.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.493 ' N ' HD13 ' A' ' 68' ' ' LEU . 40.9 m-70 -146.02 118.83 8.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.19 . . . . 0.0 109.585 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 12.6 t-80 -43.87 141.76 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.83 -45.35 3.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -128.24 79.52 1.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 0.747 . . . . 0.0 109.346 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -64.32 131.02 46.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.8 172.19 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.51 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 42.8 m-20 -70.27 -0.72 8.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 26.5 m-85 -88.87 -45.02 10.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.609 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -66.31 -58.79 4.59 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.545 ' O ' ' CE ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -75.83 41.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 1.2 ttmm -143.92 -57.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.609 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -70.36 -4.75 23.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.618 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.62 41.32 0.75 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.438 1.086 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.756 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.25 133.66 45.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.8 OUTLIER -80.23 139.7 36.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -40.81 -32.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.287 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.405 ' OG1' ' HG3' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -76.8 -43.28 37.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.408 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.756 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.11 -28.82 41.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.485 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -53.59 -51.55 62.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.6 -43.27 8.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.9 mt-30 -46.0 -59.69 2.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.769 HD11 ' CE1' ' A' ' 118' ' ' PHE . 10.1 mt -46.29 -44.39 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.583 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.6 t -56.28 -15.6 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 89' ' ' GLN . 5.1 m-20 -76.72 -71.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.702 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -62.64 -47.19 94.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.617 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.54 -26.91 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.9 m170 -76.25 -30.46 57.88 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.534 1.146 . . . . 0.0 109.659 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.38 -23.72 36.19 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.543 1.152 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 101' ' ' ALA . 2.7 m -90.1 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 1.7 tt0 -45.57 -35.31 3.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.245 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -73.01 -30.5 63.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.609 1.193 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.41 -6.58 40.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.94 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.571 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -115.47 82.7 9.96 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.582 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.91 176.28 10.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 44.45 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' A' ' 102' ' ' PRO . 1.2 t-20 -63.69 142.3 58.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' ' 107' ' ' LYS . 31.0 m-20 -56.54 -19.87 17.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.8 OUTLIER -82.18 32.71 0.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.44 ' H ' ' C ' ' A' ' 105' ' ' ASP . 11.3 pttt -40.3 -28.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.474 ' N ' ' C ' ' A' ' 106' ' ' ASP . 33.4 t -61.64 -52.45 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 108.294 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -90.85 -13.51 33.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.582 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.3 OUTLIER -89.4 -69.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 8.2 m -42.92 -44.99 4.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.675 ' HA ' ' HB3' ' A' ' 115' ' ' ALA . 0.0 OUTLIER -48.08 -48.09 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 116' ' ' MET . 2.6 t70 -40.55 -48.81 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.235 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.571 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -84.73 -49.55 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -45.08 -25.75 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.584 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -105.16 -33.14 8.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.133 . . . . 0.0 110.982 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 17.5 t -39.54 -55.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.769 ' CE1' HD11 ' A' ' 90' ' ' LEU . 1.2 t80 -65.65 -42.26 91.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.555 ' HA ' HD13 ' A' ' 122' ' ' ILE . 19.4 mttp -59.3 -29.95 67.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 41' ' ' TYR . 5.3 mttp -60.65 -28.6 68.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 124' ' ' LYS . 8.0 mm-40 -59.59 -28.9 67.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.782 HD12 ' N ' ' A' ' 122' ' ' ILE . 2.2 mp -82.25 -42.26 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -48.06 -21.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.4 OUTLIER -98.87 25.94 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.923 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.0 OUTLIER -41.93 -95.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.691 ' H ' HD13 ' A' ' 125' ' ' LEU . 4.0 m-80 -104.58 -3.31 23.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.923 ' CD2' HD11 ' A' ' 125' ' ' LEU . 1.3 m0 -90.26 154.39 19.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.8 m -92.6 121.06 66.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.435 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.2 Cg_endo -75.02 51.98 2.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.571 1.827 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' PRO . 13.6 t-20 -38.81 -31.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.17 . . . . 0.0 109.367 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.435 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.6 OUTLIER -98.04 99.97 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.899 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 8.0 m-20 -127.98 96.47 4.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.852 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -171.68 125.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.524 ' HB ' HD13 ' A' ' 135' ' ' ILE . 90.4 t -114.57 -60.18 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.39 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.524 HD13 ' HB ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -105.36 -11.26 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.3 26.7 35.52 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.91 174.78 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.539 ' O ' HD23 ' A' ' 139' ' ' LEU . 0.5 OUTLIER -75.4 114.32 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER 174.34 -70.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.899 ' HB1' ' HB3' ' A' ' 132' ' ' ASP . . . -78.99 165.19 23.72 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.454 1.097 . . . . 0.0 109.238 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.413 ' N ' ' HB3' ' A' ' 132' ' ' ASP . 4.2 mt-10 -69.42 87.07 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 -179.94 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.541 ' OE2' ' CZ ' ' A' ' 34' ' ' TYR . 5.9 mm-40 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.605 HD11 ' OD1' ' A' ' 35' ' ' ASN . 4.9 mm -53.79 -39.83 41.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 ttm -94.51 -11.85 28.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -109.65 105.63 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.213 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.6 p-10 -119.53 145.98 45.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 109.384 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.967 HD12 ' HB3' ' A' ' 11' ' ' ASN . 0.8 OUTLIER -60.08 171.05 1.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.778 ' H ' HD13 ' A' ' 8' ' ' LEU . 42.7 t -47.13 -80.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.455 1.097 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 12' ' ' PHE . 71.6 m-20 -121.36 -39.01 2.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.967 ' HB3' HD12 ' A' ' 8' ' ' LEU . 2.2 t30 -34.36 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.64 ' CD1' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -115.1 -66.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.6 -34.8 1.85 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 24.7 ttpp -80.44 -53.96 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.802 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -57.67 -40.98 80.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.44 -48.11 76.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.1 -39.96 86.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 15.3 mt-30 -70.4 -42.64 71.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.507 ' O ' HD12 ' A' ' 25' ' ' LEU . 4.3 m -62.08 -40.41 95.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.217 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.587 ' O ' ' HA ' ' A' ' 24' ' ' SER . 1.1 ttpm? -66.48 -4.52 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.83 -69.6 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -46.71 -44.51 18.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -99.34 -11.15 21.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 50.22 18.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.655 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -81.89 168.46 23.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.361 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.899 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.4 Cg_endo -75.02 119.22 5.55 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.5 1.789 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.54 ' HA ' HG22 ' A' ' 30' ' ' VAL . 24.7 p-10 -67.05 0.35 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 26' ' ' PRO . 6.8 p -81.3 -40.76 23.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.4 m -64.76 -37.0 79.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.565 HG11 ' CB ' ' A' ' 51' ' ' ALA . 34.9 m -77.53 -31.13 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -65.34 -17.49 64.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.422 ' HA ' ' HB2' ' A' ' 35' ' ' ASN . 11.7 t0 -81.02 -19.4 43.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.692 ' CD2' ' CH2' ' A' ' 37' ' ' TRP . 13.3 mt -50.34 -50.95 49.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.541 ' CZ ' ' OE2' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -67.87 -21.88 65.14 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 0.0 110.927 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.605 ' OD1' HD11 ' A' ' 4' ' ' ILE . 0.8 OUTLIER -74.29 -73.2 0.24 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 0.4 OUTLIER 158.8 48.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 111.081 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.692 ' CH2' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.35 16.65 9.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 108.044 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -44.61 -55.53 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -51.68 -35.63 43.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.567 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 19.5 t0 -76.09 56.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.219 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.665 ' CD1' ' HB2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -57.46 173.2 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 111.093 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.838 HG22 ' HA ' ' A' ' 46' ' ' ARG . 2.2 t -43.18 -36.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.665 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 14.5 mtp -39.37 -27.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.3 m -108.13 -52.61 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.31 98.04 4.59 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.838 ' HA ' HG22 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -67.75 -32.34 72.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.849 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -55.23 -44.28 75.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.173 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.433 ' HA ' HG12 ' A' ' 30' ' ' VAL . . . -60.32 -32.07 70.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.667 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -80.71 -31.23 36.91 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.511 1.132 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.01 -44.39 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.565 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -59.58 -49.16 78.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.667 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -50.15 -36.49 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.533 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -62.77 -43.58 98.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.64 ' O ' HG22 ' A' ' 57' ' ' THR . 0.4 OUTLIER -64.83 -28.63 69.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 108.356 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -53.46 -33.23 53.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.61 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.41 -13.21 60.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -18.08 -59.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.472 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 61' ' ' VAL . 44.0 mmtt -112.54 94.5 4.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.69 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -61.63 -16.09 45.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -22.56 63.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.3 m -82.99 -41.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.69 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.12 -45.05 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 4.4 p30 -122.31 103.02 39.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.17 -42.13 0.53 Allowed 'Trans proline' 0 C--N 1.362 1.262 0 O-C-N 124.455 1.766 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -111.74 0.54 16.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.66 41.38 1.87 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 2.0 t30 -53.44 -37.31 62.48 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 0.738 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.044 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -171.94 -176.74 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.659 ' CD2' HD23 ' A' ' 59' ' ' LEU . 49.4 m80 -146.15 118.29 8.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.54 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.533 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 10.2 t-80 -42.46 140.55 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.65 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.33 -45.24 3.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.582 1.176 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -127.82 82.19 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.595 0.821 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.75 130.37 43.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.15 172.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.565 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.5 OUTLIER -70.17 -1.41 10.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -86.3 -45.48 11.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.506 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . . . -67.62 -58.43 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.565 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -75.5 41.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.918 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.478 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 2.7 tttp -148.99 -55.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -69.43 -5.59 24.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.556 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -155.59 43.81 0.55 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.781 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.16 133.7 46.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 109.205 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 86' ' ' MET . 4.6 m-20 -81.51 141.35 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -31.21 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 2.2 t -75.51 -43.7 47.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.614 1.196 . . . . 0.0 110.475 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.781 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.23 -26.96 31.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 111.018 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.476 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -53.67 -55.83 22.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.482 HE21 ' N ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -94.01 -43.2 8.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 62.7 mm-40 -44.1 -60.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.723 ' O ' HD13 ' A' ' 93' ' ' ILE . 15.7 mt -46.58 -43.4 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.577 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.9 t -57.05 -15.9 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 3.7 m-20 -76.84 -71.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.723 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -60.91 -47.0 95.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.618 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.76 -28.5 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 2.5 m170 -76.38 -29.68 57.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.585 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.421 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -87.73 -24.24 36.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -89.37 -61.94 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.5 OUTLIER -45.76 -34.07 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.96 -30.57 61.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.358 1.036 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.532 ' OG ' HG21 ' A' ' 138' ' ' VAL . 0.2 OUTLIER -94.86 -6.83 41.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.567 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -115.39 83.56 10.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.59 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.6 Cg_endo -75.01 176.8 9.44 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.6 Cg_endo -75.02 46.74 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.529 1.805 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.412 ' OD1' ' HG2' ' A' ' 102' ' ' PRO . 27.9 m120 -63.76 142.12 58.52 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.7 OUTLIER -56.95 -18.79 14.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -81.72 32.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.489 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 19.0 ptmt -41.13 -25.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.473 ' N ' ' O ' ' A' ' 106' ' ' ASP . 25.0 t -61.52 -50.74 71.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 108.3 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.7 ttp -102.6 -4.9 24.51 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.59 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -89.1 -69.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.419 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 6.0 m -52.51 -42.5 64.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.685 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.26 -46.57 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.181 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 116' ' ' MET . 1.2 t0 -42.84 -45.41 4.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.567 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -79.24 -48.91 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -51.85 -20.23 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.483 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 8.2 ptt? -104.93 -27.73 11.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 116' ' ' MET . 6.9 t -48.98 -55.3 12.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 108.297 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.712 ' CE1' HD11 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -64.91 -43.78 91.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 0.0 110.975 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -59.83 -29.21 68.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.391 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -59.85 -33.32 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -59.01 -29.41 67.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.68 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.4 mm -76.71 -37.53 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.459 ' CE1' ' HB3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -47.9 -18.77 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.513 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.471 ' N ' ' C ' ' A' ' 122' ' ' ILE . 5.5 mttp -96.52 26.23 4.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.876 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -44.81 -95.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.642 ' H ' HD13 ' A' ' 125' ' ' LEU . 4.6 m-80 -103.32 -4.0 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.876 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.8 OUTLIER -91.0 153.88 19.84 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.24 118.29 59.32 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.47 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.2 Cg_endo -75.05 51.63 2.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.57 1.826 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -43.1 -26.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.45 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -92.99 100.87 13.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.502 ' O ' ' C ' ' A' ' 133' ' ' LEU . 1.0 OUTLIER -128.75 126.47 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.891 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -31.98 117.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.4 ' H ' HD13 ' A' ' 135' ' ' ILE . 7.7 p -115.43 7.7 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.385 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.519 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -97.93 -10.2 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.634 1.209 . . . . 0.0 109.342 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.99 33.39 18.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.474 ' H ' HD23 ' A' ' 133' ' ' LEU . 1.5 tt0 -107.27 134.23 50.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 0.787 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.532 HG21 ' OG ' ' A' ' 100' ' ' SER . 14.7 m -66.82 121.13 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.3 mt 173.01 -68.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.398 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.629 ' HB3' HD12 ' A' ' 133' ' ' LEU . . . -83.4 165.93 18.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 142' ' ' VAL . 0.7 OUTLIER -74.24 90.28 2.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 110.231 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.454 ' CA ' HD11 ' A' ' 133' ' ' LEU . 25.0 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.545 HD12 ' HB1' ' A' ' 31' ' ' ALA . 5.7 mm -53.96 -36.9 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.355 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.0 ptm -54.17 -30.22 48.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.73 105.78 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.576 1.172 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -119.89 138.92 53.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.344 1.028 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.824 HD11 ' HB2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.87 -167.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t -59.43 -102.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.015 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.612 ' O ' ' N ' ' A' ' 12' ' ' PHE . 1.9 m-20 -125.24 -27.97 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.54 ' C ' ' O ' ' A' ' 10' ' ' ASN . 2.1 m120 -27.63 -39.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.157 . . . . 0.0 109.28 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.824 ' HB2' HD11 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -106.9 -64.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 111.028 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.36 -33.58 1.42 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -75.3 -54.59 6.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 0.803 . . . . 0.0 109.286 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.732 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -60.33 -43.76 96.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.727 ' SD ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -63.17 -38.28 90.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.18 -43.6 73.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.393 1.058 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.42 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 20.6 mt-30 -71.15 -35.25 71.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.537 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -64.47 -35.33 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -66.27 -6.8 15.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -112.07 -68.09 0.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 19' ' ' CYS . 1.9 pt-20 -49.19 -44.14 42.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.261 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 71.3 mt -97.71 -11.14 23.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.3 m 50.4 18.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.047 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.41 166.53 35.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.992 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -74.95 120.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.526 ' HA ' ' CG2' ' A' ' 30' ' ' VAL . 11.6 t0 -66.84 -1.93 4.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 26' ' ' PRO . 20.5 p -82.44 -39.3 22.78 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.992 HG22 ' O ' ' A' ' 26' ' ' PRO . 31.8 m -63.44 -36.72 77.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.622 1.201 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.53 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -77.47 -32.67 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.361 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.545 ' HB1' HD12 ' A' ' 4' ' ' ILE . . . -68.49 -16.93 64.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -77.07 -21.03 55.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -55.82 -51.05 68.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -21.44 61.39 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 17.2 t30 -75.58 -65.51 0.89 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 163.27 46.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.629 ' CE3' ' C ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.17 12.77 19.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 108.001 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 1.5 ttmt -44.83 -55.68 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.614 ' CB ' ' CD2' ' A' ' 123' ' ' HIS . 0.5 OUTLIER -65.31 -28.15 69.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.571 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 17.5 t0 -69.16 87.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.553 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 50.7 t80 -90.24 172.88 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.89 HG22 ' HA ' ' A' ' 46' ' ' ARG . 25.1 t -38.99 -29.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' TYR . 9.9 tpt -39.42 -27.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -111.42 -59.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.477 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -134.36 114.1 12.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.89 ' HA ' HG22 ' A' ' 42' ' ' VAL . 1.3 ttm180 -75.74 -39.77 56.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.648 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.28 -43.37 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 52' ' ' ILE . . . -60.85 -33.12 72.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.487 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -83.08 -31.85 27.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.9 -45.56 20.36 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.53 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -56.58 -47.77 78.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.648 HG12 HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -54.7 -42.84 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.361 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.44 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -56.82 -41.22 77.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 1.003 ' O ' HG23 ' A' ' 57' ' ' THR . 0.5 OUTLIER -65.58 -29.69 70.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 108.171 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.756 HD21 ' HA ' ' A' ' 12' ' ' PHE . 2.2 tm? -41.35 -27.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 109.276 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.632 ' HB1' ' CD1' ' A' ' 59' ' ' LEU . . . -61.23 -12.64 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 1.003 HG23 ' O ' ' A' ' 54' ' ' CYS . 27.8 p -17.07 -61.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.669 ' O ' HG22 ' A' ' 61' ' ' VAL . 11.7 mmtt -114.85 93.1 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.649 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 1.1 mp -58.15 -15.85 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.72 -24.33 63.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.7 m -80.24 -41.43 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.649 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.23 -46.26 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' LEU . 5.2 p-10 -124.2 105.44 31.41 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -43.17 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.424 1.749 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -112.81 2.66 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.19 39.33 2.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.401 1.063 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.683 ' OD1' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -53.54 -37.73 63.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.032 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -168.78 -176.49 2.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.402 1.064 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.61 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 40.7 m170 -147.25 112.08 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.578 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 3.8 t-80 -40.65 143.39 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 109.615 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.78 -45.0 3.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -129.49 74.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.81 130.38 43.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -61.77 168.84 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.49 ' O ' ' HE1' ' A' ' 78' ' ' MET . 1.3 m-20 -71.75 1.75 6.41 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.575 1.172 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.455 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 4.6 t80 -100.55 -28.46 12.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.371 1.044 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' A' ' 68' ' ' LEU . . . -54.48 -76.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.743 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -76.56 39.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.491 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -144.81 -55.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.455 ' ND1' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -70.46 -5.7 30.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.589 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.8 24.16 1.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' HG2' ' A' ' 86' ' ' MET . . . -131.99 149.34 52.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.45 142.16 53.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 109.376 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.57 -35.66 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 7.3 t -81.4 -44.5 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.56 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 12.7 ttm -53.52 -42.66 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -54.19 -46.75 72.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.45 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.4 OUTLIER -74.17 -41.93 60.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.242 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.3 mm100 -48.42 -54.48 13.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.899 HD21 ' CD1' ' A' ' 118' ' ' PHE . 7.3 mp -46.81 -45.52 20.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.545 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 9.4 t -52.43 -17.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 45.4 t0 -76.32 -68.69 0.56 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.98 -46.98 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.671 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -51.92 -24.57 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.213 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.6 -30.74 57.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.63 -24.68 29.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.567 1.167 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 100' ' ' SER . 0.7 OUTLIER -87.94 -63.77 1.25 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 16.4 tt0 -45.77 -33.91 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.201 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.425 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 27.3 pttt -73.46 -31.22 63.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.9 -7.03 41.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.08 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.63 83.31 11.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.574 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.3 Cg_endo -74.98 175.84 10.7 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 111.066 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 17.9 Cg_endo -75.01 45.4 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.578 1.83 . . . . 0.0 111.028 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 102' ' ' PRO . 32.1 t-20 -63.4 143.77 57.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.098 . . . . 0.0 109.364 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 107' ' ' LYS . 1.4 m-20 -57.08 -19.07 17.16 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.602 1.189 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 110' ' ' LYS . 43.3 m-20 -81.86 30.96 0.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.445 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 2.3 mtpt -41.23 -26.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.469 ' N ' ' C ' ' A' ' 106' ' ' ASP . 32.4 t -61.68 -51.44 68.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.563 1.164 . . . . 0.0 108.25 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.3 OUTLIER -97.01 -10.18 26.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.574 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.4 -69.34 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.441 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 7.0 m -48.19 -42.95 31.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.68 -46.48 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -43.06 -54.06 4.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.497 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -76.23 -48.48 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.612 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -47.46 -23.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.578 ' HG3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -105.54 -36.56 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 116' ' ' MET . 4.4 t -41.19 -51.51 3.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 108.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.899 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -66.31 -45.08 81.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.424 ' HB3' ' CE ' ' A' ' 116' ' ' MET . 6.2 mttt -59.05 -30.87 68.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.1 OUTLIER -61.18 -28.41 69.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 16.1 mm-40 -59.01 -28.81 66.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.656 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.5 mm -78.79 -36.86 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.614 ' CD2' ' CB ' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -47.36 -18.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.685 1.241 . . . . 0.0 109.635 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.452 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -95.4 26.82 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.831 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.77 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.61 ' H ' HD13 ' A' ' 125' ' ' LEU . 3.7 t30 -112.64 -6.19 13.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.831 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -91.79 152.16 20.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 128' ' ' VAL . 2.9 m -94.39 117.81 67.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.0 Cg_endo -74.95 51.12 2.69 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 129' ' ' PRO . 2.3 t-20 -39.23 -31.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.445 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -95.69 100.54 12.24 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.573 1.171 . . . . 0.0 111.054 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.427 ' HB3' ' N ' ' A' ' 141' ' ' GLU . 0.2 OUTLIER -118.63 106.15 12.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.802 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -175.83 115.81 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.522 ' HB ' HD13 ' A' ' 135' ' ' ILE . 92.4 t -115.29 -60.22 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.522 HD13 ' HB ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -105.45 -19.95 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.52 30.28 27.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.35 173.0 6.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 138' ' ' VAL . 13.2 m -65.06 99.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.43 -63.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.63 165.19 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.427 ' N ' ' HB3' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -73.35 84.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 15.9 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.796 HD11 HD21 ' A' ' 35' ' ' ASN . 16.4 mm -52.06 -41.6 32.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.41 0.28 17.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 105.19 8.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.226 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.5 p-10 -123.32 139.93 53.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.876 HD12 ' CG ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -69.21 -170.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.393 1.058 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -52.45 -99.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.086 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' PHE . 6.5 m120 -121.8 -31.37 3.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.639 1.212 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.876 ' CG ' HD12 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -26.77 -42.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 1.137 ' CE1' HD21 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -109.46 -64.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.435 ' HA2' ' SD ' ' A' ' 16' ' ' MET . . . -40.81 -34.79 0.81 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.488 1.118 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' A' ' 10' ' ' ASN . 18.0 ttpp -80.93 -42.56 21.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.692 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -56.99 -47.82 79.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.6 ' HE3' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -72.96 -38.22 66.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 8.2 t70 -65.88 -39.98 91.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.506 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.4 mt-30 -71.81 -42.45 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.701 ' HB3' HD11 ' A' ' 25' ' ' LEU . 1.1 m -62.33 -40.59 96.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.49 ' CD ' ' HB3' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -57.07 -13.37 2.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -109.34 -70.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.543 ' HG3' HD23 ' A' ' 23' ' ' LEU . 3.0 pt-20 -57.42 -34.47 68.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.543 HD23 ' HG3' ' A' ' 22' ' ' GLU . 4.1 mm? -97.85 -12.51 22.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m 45.45 21.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.967 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -91.64 168.35 13.45 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.975 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.4 Cg_endo -74.98 120.71 6.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.579 1.831 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.49 ' HB3' ' CD ' ' A' ' 20' ' ' LYS . 40.0 p-10 -66.99 -0.68 3.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 0.0 109.232 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.433 ' H ' ' C ' ' A' ' 26' ' ' PRO . 29.7 p -82.44 -39.85 21.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.975 HG22 ' O ' ' A' ' 26' ' ' PRO . 28.2 m -61.62 -37.37 77.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.494 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 11.9 p -77.71 -33.09 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.522 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.85 -13.39 62.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 9.2 t0 -72.01 -33.21 67.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.146 HD13 ' CZ3' ' A' ' 37' ' ' TRP . 7.2 tp -54.22 -35.02 61.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.481 ' HB2' ' O ' ' A' ' 31' ' ' ALA . 11.0 m-85 -52.79 -37.59 59.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.373 1.046 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.796 HD21 HD11 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -86.44 -70.69 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 2.0 m-85 178.28 66.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.425 1.078 . . . . 0.0 111.038 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 1.146 ' CZ3' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.83 15.87 12.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.0 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' O ' ' CE ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -54.76 -55.93 24.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.636 ' CB ' ' CD2' ' A' ' 123' ' ' HIS . 0.3 OUTLIER -59.66 -33.46 71.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.36 85.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.836 ' CZ ' HG22 ' A' ' 42' ' ' VAL . 32.6 t80 -92.53 164.05 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.068 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.836 HG22 ' CZ ' ' A' ' 41' ' ' TYR . 27.5 m -40.38 -28.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.431 1.082 . . . . 0.0 109.238 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' TYR . 11.2 tpt -38.22 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -112.56 -53.03 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.361 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -133.05 107.74 8.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -63.35 -44.34 95.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.623 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -46.81 -43.45 18.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.68 -32.71 59.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -81.56 -30.56 36.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.71 -40.05 42.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HB1' ' CG2' ' A' ' 30' ' ' VAL . . . -55.54 -48.16 75.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.495 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.7 OUTLIER -62.53 -47.29 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' HA ' ' NE2' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -60.02 -45.28 93.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.427 1.079 . . . . 0.0 109.366 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -64.57 -21.9 66.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 108.299 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.137 HD21 ' CE1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -52.93 -33.73 52.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.622 1.201 . . . . 0.0 109.347 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.616 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -71.59 -12.05 61.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.232 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.616 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -16.61 -60.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 110.448 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.673 ' O ' HG22 ' A' ' 61' ' ' VAL . 15.2 mmtt -112.08 94.97 5.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.638 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.7 OUTLIER -59.0 -16.26 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.41 -22.58 62.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.5 m -82.34 -41.73 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.638 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.88 -45.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.238 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.6 p-10 -123.09 103.35 36.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -42.03 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.93 0.38 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.87 39.44 2.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.958 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.427 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 63.2 t30 -53.43 -37.76 62.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.999 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -167.18 -176.5 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.471 ' N ' HD13 ' A' ' 68' ' ' LEU . 5.9 m-70 -146.71 118.71 8.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.528 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 8.3 t60 -42.04 142.58 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.607 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.61 -44.69 2.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -128.84 76.76 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.803 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -60.51 131.25 50.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -60.73 171.34 1.18 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.561 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 3.0 m-20 -70.23 -2.21 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.92 -46.09 10.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.6 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -65.67 -58.95 4.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.561 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -76.38 42.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 111.008 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.483 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.3 OUTLIER -152.06 -52.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.6 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -67.84 -6.47 21.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.072 . . . . 0.0 109.586 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -159.65 44.94 0.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.571 1.17 . . . . 0.0 111.016 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.768 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.01 132.97 45.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.763 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' MET . 7.7 m-20 -79.92 141.44 36.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.01 -32.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.311 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -77.38 -41.92 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.87 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -54.19 -24.53 18.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -59.98 -54.22 48.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -43.37 11.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.629 1.206 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.6 mt-30 -43.3 -62.22 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.046 HD21 ' CE1' ' A' ' 118' ' ' PHE . 6.4 mp -49.24 -43.97 43.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.227 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 0.9 OUTLIER -56.31 -18.35 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 109.358 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 39.0 t0 -73.54 -69.36 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.64 -46.79 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.599 1.187 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.627 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.85 -27.46 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.394 1.059 . . . . 0.0 109.367 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.563 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.5 m170 -75.53 -31.11 59.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.565 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.403 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -89.43 -23.96 32.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.33 -61.83 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.486 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.1 tt0 -45.47 -35.33 3.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -73.89 -30.48 62.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.581 1.175 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.0 -5.43 44.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.95 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -114.66 82.8 8.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.559 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -74.99 176.47 9.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 44.97 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.4 1.737 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 102' ' ' PRO . 0.8 OUTLIER -63.78 141.4 58.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 107' ' ' LYS . 6.9 p-10 -56.54 -18.39 11.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.8 t0 -80.62 32.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.491 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 1.8 tmtt? -40.91 -26.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.475 ' N ' ' C ' ' A' ' 106' ' ' ASP . 11.4 t -62.21 -51.39 68.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.339 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.511 ' N ' ' O ' ' A' ' 106' ' ' ASP . 7.6 ttt -100.67 -4.93 27.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.079 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -90.02 -69.81 0.7 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.413 ' CB ' ' HG2' ' A' ' 107' ' ' LYS . 84.0 m -51.64 -41.45 61.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.45 -46.81 10.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.71 -52.33 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.523 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -75.84 -49.58 25.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -49.5 -22.2 1.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.59 -37.29 7.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.92 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.0 t -41.5 -54.4 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 108.271 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 1.046 ' CE1' HD21 ' A' ' 90' ' ' LEU . 1.4 t80 -66.29 -37.71 86.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -62.63 -30.43 71.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.182 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 116' ' ' MET . 27.0 mttt -61.56 -29.13 69.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.473 ' HA ' ' CE ' ' A' ' 124' ' ' LYS . 8.0 mm-40 -59.94 -28.47 67.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.24 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.63 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.6 mm -80.79 -36.42 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.636 ' CD2' ' CB ' ' A' ' 39' ' ' ASP . 2.0 t-160 -47.24 -18.4 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.622 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.493 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -94.73 25.12 4.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.743 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -46.03 -95.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.687 ' H ' HD13 ' A' ' 125' ' ' LEU . 28.1 m-80 -96.46 -24.93 15.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.638 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -91.84 137.32 32.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 108.027 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 6.5 m -92.93 116.96 67.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.209 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.598 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.4 Cg_endo -75.03 50.3 2.5 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.427 1.751 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -40.18 -31.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.433 ' N ' ' C ' ' A' ' 129' ' ' PRO . 2.1 ttt -96.53 109.61 22.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.537 ' CG ' ' HB1' ' A' ' 140' ' ' ALA . 1.5 t0 -124.34 125.57 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.9 86.95 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.383 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.076 HG13 HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -118.41 -45.55 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 1.076 HD13 HG13 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -106.33 -20.63 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.231 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 70.11 23.38 77.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.66 1.225 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.2 173.48 10.08 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.443 0.731 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 138' ' ' VAL . 18.6 m -65.03 100.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER 177.12 -39.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.537 ' HB1' ' CG ' ' A' ' 132' ' ' ASP . . . -93.24 165.45 12.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.476 ' N ' ' CB ' ' A' ' 132' ' ' ASP . 0.0 OUTLIER -70.07 85.74 0.54 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.335 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -165.89 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.35 -25.14 33.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.335 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.484 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.5 mm -55.21 -37.77 44.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.04 -5.05 28.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -109.57 106.07 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -118.68 139.62 51.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.789 HD11 ' H ' ' A' ' 12' ' ' PHE . 3.3 pp -70.26 -164.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.494 ' O ' ' O ' ' A' ' 8' ' ' LEU . 28.9 t -47.27 -103.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 109.953 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.6 ' O ' ' N ' ' A' ' 12' ' ' PHE . 7.4 m120 -125.55 -34.03 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.744 ' OD1' HG23 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -34.53 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.968 ' CD1' HD11 ' A' ' 55' ' ' LEU . 8.6 t80 -113.73 -64.34 1.32 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.17 -34.28 5.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 10' ' ' ASN . 2.6 ttpt -79.19 -53.82 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.666 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -56.3 -41.84 76.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.609 ' HE1' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -64.97 -47.14 78.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 110.956 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -67.38 -38.08 84.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.5 mt-30 -71.08 -41.15 71.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.726 ' HB3' HD12 ' A' ' 23' ' ' LEU . 60.1 m -62.01 -35.87 79.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.38 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 24' ' ' SER . 4.1 ttpt -67.77 -7.03 24.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.22 -68.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -48.58 -42.65 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.252 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.726 HD12 ' HB3' ' A' ' 19' ' ' CYS . 1.1 mt -98.75 -11.05 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.189 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.53 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.19 18.1 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.737 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -84.9 167.61 25.43 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.794 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.6 Cg_endo -74.97 119.83 5.82 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 111.051 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.503 ' HA ' HG12 ' A' ' 30' ' ' VAL . 30.5 p-10 -68.43 -0.83 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 26' ' ' PRO . 29.2 p -82.49 -41.4 19.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 26' ' ' PRO . 14.7 m -64.77 -36.6 78.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 27' ' ' ASP . 12.3 p -77.28 -31.73 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.378 1.049 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.55 -15.07 63.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.568 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 62.3 t0 -78.3 -30.8 48.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 33' ' ' LEU . 11.1 mt -52.17 -38.17 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.794 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -73.05 -21.36 60.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.536 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 1.1 t-20 -67.98 -73.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER 159.88 29.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -94.57 26.1 3.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 108.051 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.584 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -45.37 -46.18 12.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.54 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 3.0 t0 -48.63 -32.83 8.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.61 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 8.5 t70 -83.36 89.8 7.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.588 ' CE2' ' HD2' ' A' ' 120' ' ' LYS . 1.5 m-85 -90.66 -175.53 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.434 ' C ' ' N ' ' A' ' 44' ' ' THR . 6.0 m -40.6 -29.68 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.429 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -41.62 -25.3 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.547 1.154 . . . . 0.0 111.068 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.434 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -113.16 -54.7 2.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.555 ' OD2' HG21 ' A' ' 29' ' ' VAL . 1.2 t70 -135.51 99.22 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.387 1.054 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.785 ' HD2' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -62.44 -33.0 73.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.84 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -49.38 -44.42 44.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.55 64.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.23 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.419 ' C ' HG13 ' A' ' 112' ' ' ILE . . . -82.39 -30.64 33.03 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.536 1.148 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.25 -45.08 20.49 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.45 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -57.4 -47.76 80.86 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -60.03 -39.8 81.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.592 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -60.99 -43.83 98.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.603 ' O ' HG22 ' A' ' 57' ' ' THR . 0.0 OUTLIER -67.9 -20.46 65.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 108.245 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.968 HD11 ' CD1' ' A' ' 12' ' ' PHE . 1.3 tp -52.94 -37.64 61.18 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.601 1.188 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.857 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -72.36 -12.25 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.203 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -15.13 -59.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.71 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -111.79 103.81 12.09 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.857 HD23 ' O ' ' A' ' 56' ' ' ALA . 7.9 mt -71.05 -18.78 62.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -32.29 73.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.71 HG22 ' O ' ' A' ' 58' ' ' LYS . 18.9 m -89.26 -39.22 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.744 HG23 ' OD1' ' A' ' 11' ' ' ASN . 0.9 OUTLIER -68.76 -41.41 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.446 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -134.73 106.17 10.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -111.07 4.14 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.446 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.48 45.99 2.05 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.14 . . . . 0.0 111.066 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -52.35 -37.33 55.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 0.735 . . . . 0.0 109.283 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.024 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.38 -174.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.531 ' N ' HD13 ' A' ' 68' ' ' LEU . 45.4 m-70 -147.07 116.57 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.592 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 14.8 t-80 -39.99 140.0 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.35 -45.14 3.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -127.18 79.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.725 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.15 130.28 42.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.4 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -60.49 171.0 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.389 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.538 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 12.5 m-20 -70.76 0.23 7.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.4 ' H ' ' C ' ' A' ' 74' ' ' LYS . 3.2 t80 -87.87 -45.98 9.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -63.59 -59.0 5.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.538 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -77.77 41.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 3.8 tptt -153.52 -53.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -68.77 -5.83 23.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.626 1.204 . . . . 0.0 109.62 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -160.45 39.6 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.544 ' HB1' ' SD ' ' A' ' 86' ' ' MET . . . -131.03 146.87 52.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 0.721 . . . . 0.0 109.372 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.77 138.56 33.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -42.87 -33.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -77.58 -44.28 28.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 110.359 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.647 ' HG3' HD22 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -55.48 -24.09 29.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -54.36 -60.08 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.456 ' HA ' ' CG2' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -86.56 -41.63 14.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 92' ' ' ASP . 1.6 mt-30 -42.64 -60.85 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.04 HD21 ' CE1' ' A' ' 118' ' ' PHE . 7.4 mp -47.07 -40.77 15.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.56 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.8 t -56.78 -15.39 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.373 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 89' ' ' GLN . 2.3 m-20 -76.93 -69.29 0.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.75 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -63.23 -46.72 95.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.608 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -53.03 -26.93 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 2.1 m170 -75.86 -30.5 58.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.634 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' C ' ' HG2' ' A' ' 99' ' ' LYS . . . -88.65 -24.66 32.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -89.23 -62.76 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -45.64 -33.64 3.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 95' ' ' HIS . 2.3 pttt -73.3 -31.4 64.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.64 -8.4 34.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.038 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.48 80.31 12.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.09 171.59 18.02 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 44.67 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 102' ' ' PRO . 1.3 t-20 -61.4 149.79 37.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.421 ' C ' ' H ' ' A' ' 107' ' ' LYS . 12.4 m-20 -53.45 -26.81 21.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -83.61 29.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 105' ' ' ASP . 14.5 pttt -39.87 -30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.445 ' N ' ' C ' ' A' ' 106' ' ' ASP . 7.0 t -51.97 -48.27 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' ASP . 22.8 ttt -102.17 -5.95 23.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -90.43 -79.4 0.35 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 114' ' ' VAL . 8.2 m -45.15 -43.95 10.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.755 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.08 -45.92 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -40.8 -42.0 1.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.393 1.058 . . . . 0.0 109.285 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -80.92 -49.36 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.45 -22.18 1.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.469 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 16.1 ptt? -103.3 -31.17 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 116' ' ' MET . 1.8 t -50.8 -53.95 27.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 108.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 1.04 ' CE1' HD21 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -65.52 -32.64 74.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.093 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -57.64 -30.38 65.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.588 ' HD2' ' CE2' ' A' ' 41' ' ' TYR . 27.0 mtmt -63.95 -32.28 73.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.579 ' OE2' HG21 ' A' ' 93' ' ' ILE . 52.2 mm-40 -59.36 -27.68 66.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.233 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.671 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.4 mm -80.73 -40.2 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -48.15 -21.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -103.66 30.85 4.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.761 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -42.93 -102.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.528 ' H ' HD13 ' A' ' 125' ' ' LEU . 39.7 m-80 -102.54 -30.12 11.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.745 ' H ' HD13 ' A' ' 125' ' ' LEU . 1.9 p-90 -108.7 135.94 49.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 107.982 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 128' ' ' VAL . 10.3 p -124.77 90.07 51.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 50.31 2.5 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -40.54 -35.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.27 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.6 mtp -134.94 100.76 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.786 ' O ' HG23 ' A' ' 134' ' ' VAL . 6.8 p-10 -126.08 125.0 41.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.802 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -44.97 116.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 132' ' ' ASP . 99.4 t -111.58 -53.77 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.381 1.05 . . . . 0.0 109.223 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.587 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.39 -15.87 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.342 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.0 33.11 19.09 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -105.72 172.61 6.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 138' ' ' VAL . 17.8 m -65.45 100.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.72 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -102.72 163.5 12.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.41 86.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.3 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.401 ' HB3' ' CB ' ' A' ' 5' ' ' MET . 15.1 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -165.94 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -55.54 -25.2 36.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 110.248 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 31' ' ' ALA . 5.3 mm -54.02 -52.83 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.401 ' CB ' ' HB3' ' A' ' 1' ' ' SER . 0.0 OUTLIER -81.78 -0.42 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -112.62 105.11 13.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 4.2 p-10 -119.51 140.3 50.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.742 HD22 ' HB2' ' A' ' 11' ' ' ASN . 1.2 tt -60.21 178.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.535 ' N ' HD23 ' A' ' 8' ' ' LEU . 52.9 m -49.38 -87.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.586 1.179 . . . . 0.0 109.981 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 12' ' ' PHE . 6.9 m120 -118.16 -38.14 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.742 ' HB2' HD22 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -35.78 -34.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' ASN . 15.2 m-85 -114.04 -69.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.4 -33.76 0.94 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.426 1.078 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 6.3 ttpt -80.29 -53.75 6.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.384 0.697 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.767 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -59.93 -44.71 94.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.52 ' CE ' HD23 ' A' ' 55' ' ' LEU . 26.6 mmt -62.59 -39.13 92.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.427 1.08 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -72.85 -44.63 61.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.421 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 14.3 mt-30 -67.92 -40.52 83.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.484 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 67.5 m -61.02 -38.26 85.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 108.318 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -67.65 -5.1 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.365 1.041 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.87 -68.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -45.33 -45.58 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.582 1.176 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 50' ' ' CYS . 1.8 mt -98.35 -11.37 22.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 51.77 17.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.945 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.696 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.74 166.6 35.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.966 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.1 Cg_endo -75.05 120.07 5.9 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.416 1.745 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -66.01 -2.17 3.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.202 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 26' ' ' PRO . 33.8 p -81.61 -40.19 23.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.185 . . . . 0.0 110.022 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.966 HG22 ' O ' ' A' ' 26' ' ' PRO . 35.4 m -64.28 -36.39 76.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.57 -32.13 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.481 ' O ' HD12 ' A' ' 4' ' ' ILE . . . -68.15 -18.56 64.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -65.46 -35.88 82.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.827 HD13 ' CZ3' ' A' ' 37' ' ' TRP . 3.6 tp -50.51 -48.96 56.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.539 ' CD1' ' HB3' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -51.02 -29.23 12.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -85.33 -67.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 169.45 53.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.827 ' CZ3' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.18 9.66 27.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.046 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -46.54 -54.19 9.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.206 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.34 -35.5 67.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 52.2 t0 -71.31 84.52 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.83 ' CZ ' HG22 ' A' ' 42' ' ' VAL . 28.3 t80 -81.86 163.31 22.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.83 HG22 ' CZ ' ' A' ' 41' ' ' TYR . 29.4 m -38.71 -30.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -40.04 -26.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -113.85 -50.04 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.85 93.46 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.503 ' HA ' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -66.86 -40.55 87.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.696 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -46.02 -42.97 13.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.93 -32.81 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.196 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.486 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -75.35 -32.29 55.61 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.407 1.067 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.58 ' HB3' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -81.03 -40.42 24.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.476 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . . . -61.06 -48.6 80.99 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.593 1.183 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -61.41 -40.22 85.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.05 -42.44 98.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.644 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -67.72 -21.05 65.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 108.299 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.767 HD22 ' HB3' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -52.72 -37.88 59.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.901 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -75.63 -11.58 60.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.405 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.654 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -12.94 -61.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 110.417 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.664 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -111.74 95.66 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.901 HD23 ' O ' ' A' ' 56' ' ' ALA . 6.4 mt -60.79 -17.04 47.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -67.82 -22.25 65.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.241 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.5 m -82.51 -41.68 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.431 1.082 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.661 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.18 -45.54 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -123.31 109.74 31.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.591 1.182 . . . . 0.0 109.339 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.89 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -111.32 -0.88 16.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 105.36 46.05 1.27 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.406 ' ND2' ' C ' ' A' ' 67' ' ' ASN . 1.3 t30 -53.32 -36.02 60.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.325 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.997 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.48 -173.81 1.77 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.499 ' N ' HD13 ' A' ' 68' ' ' LEU . 40.5 m-70 -144.73 117.94 8.95 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.095 . . . . 0.0 109.537 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.493 ' HB2' ' CB ' ' A' ' 56' ' ' ALA . 16.6 t60 -42.01 140.09 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.522 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.54 -45.61 3.12 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -124.43 77.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 109.316 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.0 130.81 44.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -60.88 172.2 1.02 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.325 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.53 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.5 OUTLIER -69.8 -1.89 10.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -88.54 -46.0 9.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.537 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . . . -65.33 -58.33 6.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.53 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -76.55 41.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.608 1.192 . . . . 0.0 111.011 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.486 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 7.8 tmtt? -149.59 -53.34 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.155 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -5.69 27.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.87 39.93 0.5 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.089 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.503 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.05 131.02 45.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.18 139.16 54.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.48 -33.32 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 1.2 t -75.95 -44.71 38.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.881 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.35 -24.01 41.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 110.941 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -53.93 -61.13 2.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.441 ' HA ' ' CG2' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -88.63 -40.6 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.9 mt-30 -42.29 -61.43 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.261 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.881 HD22 ' SD ' ' A' ' 86' ' ' MET . 9.8 mp -47.19 -42.22 19.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.412 1.07 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.568 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 3.2 t -54.95 -16.31 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 1.5 m-20 -76.63 -69.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.61 -47.08 90.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.66 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.53 -25.68 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.6 m170 -75.96 -30.52 58.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.421 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -87.14 -23.97 39.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -90.16 -60.77 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.9 OUTLIER -45.65 -35.42 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.64 1.212 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -71.39 -30.81 66.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.45 -8.67 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 110.037 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.607 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -117.88 79.68 13.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -75.05 173.5 14.41 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.793 . . . . 0.0 110.988 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 42.83 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 102' ' ' PRO . 3.4 t-20 -61.73 150.04 37.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.425 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.9 OUTLIER -54.68 -21.6 11.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' MET . 4.2 m-20 -83.61 28.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 105' ' ' ASP . 22.3 pttt -40.51 -29.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.457 ' N ' ' C ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -54.97 -50.63 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.334 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 4.1 ptt? -101.36 -4.31 27.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -90.14 -79.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 114' ' ' VAL . 98.0 m -45.83 -44.34 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.732 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -46.72 -46.01 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 1.5 t70 -43.75 -43.52 6.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.607 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -77.96 -53.0 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.25 -20.94 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.469 ' CG ' HD11 ' A' ' 112' ' ' ILE . 5.6 mmm -102.97 -35.35 8.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 2.4 t -44.31 -54.77 5.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.364 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.82 ' CE1' HD21 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -65.14 -35.69 81.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -31.97 73.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -27.93 69.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.508 ' OE2' HG21 ' A' ' 93' ' ' ILE . 6.9 mm-40 -57.38 -27.5 62.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.652 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.4 mm -80.14 -39.73 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.427 1.079 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.454 ' CD2' ' C ' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -49.0 -21.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -99.41 28.91 4.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.765 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -44.43 -103.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.515 ' H ' HD13 ' A' ' 125' ' ' LEU . 8.2 t30 -103.82 -29.82 10.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.371 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.759 ' H ' HD13 ' A' ' 125' ' ' LEU . 25.6 p-90 -108.61 145.36 35.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 107.977 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 64.7 t -116.82 113.84 39.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 49.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -44.86 -35.23 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.62 109.42 21.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.579 1.174 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -128.95 125.1 36.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.869 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.3 111.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.224 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.416 HG12 HD13 ' A' ' 135' ' ' ILE . 6.2 p -116.4 -7.91 12.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.502 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.62 -20.85 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.766 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 75.65 31.95 55.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -131.23 170.7 14.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 0.74 . . . . 0.0 110.338 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 138' ' ' VAL . 16.0 m -65.77 114.33 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.398 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 175.18 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -90.82 164.79 13.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 85.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.523 ' H2 ' ' HB2' ' A' ' 5' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 1' ' ' SER . 18.3 Cg_endo -75.04 -164.32 0.23 Allowed 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.459 1.768 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 9.9 mm-40 -54.44 -25.16 23.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.4 mm -57.75 -38.44 65.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.523 ' HB2' ' H2 ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -97.82 -9.1 27.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -110.1 106.72 16.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.4 p-10 -118.65 139.33 51.69 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 9' ' ' SER . 1.2 tt -63.53 -179.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.548 ' N ' HD23 ' A' ' 8' ' ' LEU . 28.1 t -48.98 -92.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.494 ' O ' ' C ' ' A' ' 11' ' ' ASN . 4.2 m120 -119.19 -38.2 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.242 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -33.35 -37.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.905 ' CE1' HD21 ' A' ' 55' ' ' LEU . 23.6 m-85 -113.8 -64.94 1.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.411 1.069 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.99 -42.82 8.2 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 12.6 ttpt -72.46 -51.56 19.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 0.719 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.835 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -55.47 -42.37 74.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.605 1.191 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.595 ' HG3' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -67.22 -44.9 78.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.58 -37.65 85.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 16.8 mt-30 -71.88 -40.83 68.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.499 ' O ' HD12 ' A' ' 25' ' ' LEU . 90.9 m -65.33 -35.01 79.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -67.37 -7.14 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.616 1.197 . . . . 0.0 109.308 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.8 -68.06 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 1.7 pt-20 -49.09 -42.98 40.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD13 ' HB3' ' A' ' 50' ' ' CYS . 35.0 mt -97.95 -10.84 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 49.85 17.79 0.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 0.0 110.057 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.739 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -85.17 167.65 24.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.88 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -74.99 120.45 6.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 27.3 p-10 -68.34 -1.49 6.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 26' ' ' PRO . 13.2 p -82.57 -40.17 21.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.88 HG22 ' O ' ' A' ' 26' ' ' PRO . 24.9 m -64.59 -36.8 78.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.595 HG11 ' HG3' ' A' ' 16' ' ' MET . 9.2 p -77.45 -32.37 18.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.44 -17.62 63.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -75.18 -19.82 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.238 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.678 HD12 ' CG ' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -59.39 -50.84 72.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.506 ' OH ' ' CE2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -55.58 -21.44 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 36' ' ' PHE . 1.2 m-20 -78.63 -72.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 35' ' ' ASN . 9.7 p90 172.87 46.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.678 ' CG ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.24 13.67 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -43.66 -55.75 4.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.466 ' N ' ' HB2' ' A' ' 123' ' ' HIS . 0.6 OUTLIER -63.87 -32.25 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.513 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 43.1 t0 -70.14 59.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.598 ' CD1' ' CB ' ' A' ' 43' ' ' MET . 0.1 OUTLIER -63.25 172.65 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.835 HG11 ' CE ' ' A' ' 109' ' ' MET . 14.5 t -41.4 -35.41 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.598 ' CB ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -38.74 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 111.032 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -109.49 -49.78 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.42 98.73 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.744 ' HA ' HG13 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -66.07 -43.2 88.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.659 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -46.78 -43.47 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' HB1' HD11 ' A' ' 33' ' ' LEU . . . -55.12 -32.96 62.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.548 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -75.51 -32.05 55.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.711 ' HB3' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -81.93 -42.6 19.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.589 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . . . -55.96 -48.72 75.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.553 ' CD1' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -65.27 -35.75 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.405 ' ND2' ' HB ' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -58.39 -51.25 70.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.626 ' O ' HG22 ' A' ' 57' ' ' THR . 1.6 p -68.2 -25.09 65.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.35 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.905 HD21 ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -51.24 -36.17 40.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.871 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -74.29 -12.22 60.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.628 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.92 -60.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.737 ' HG2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -111.74 105.62 14.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.871 HD23 ' O ' ' A' ' 56' ' ' ALA . 3.6 mt -72.12 -21.95 61.4 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -35.06 77.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.737 HG13 ' HG2' ' A' ' 58' ' ' LYS . 31.3 m -84.97 -38.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.23 -45.44 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.5 OUTLIER -125.53 106.24 27.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -42.38 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.62 4.4 20.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.445 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.22 47.63 2.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -52.6 -37.65 58.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 0.716 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.996 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -174.05 -173.4 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.536 ' N ' HD13 ' A' ' 68' ' ' LEU . 78.6 m-70 -145.31 120.32 10.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.652 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.403 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 35.8 t60 -48.05 141.29 6.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.646 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 -45.9 3.21 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.606 1.191 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -128.91 81.02 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.776 . . . . 0.0 109.358 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -62.22 129.47 40.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -61.61 172.69 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.857 ' HA ' ' HE1' ' A' ' 78' ' ' MET . 2.9 m-20 -72.54 7.98 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 74' ' ' LYS . 5.7 m-85 -104.87 -28.99 10.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.786 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -68.16 -76.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.354 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.857 ' HE1' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -74.39 43.12 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.774 ' HB2' ' HE2' ' A' ' 78' ' ' MET . 3.6 tppt? -143.56 -51.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -67.82 -6.5 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.564 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -145.22 23.24 1.9 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.668 ' HB1' ' CB ' ' A' ' 86' ' ' MET . . . -132.41 160.49 36.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 0.747 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -95.8 149.86 21.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.72 -30.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 83' ' ' ASP . 1.5 t -66.36 -41.77 89.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.349 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.668 ' CB ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -45.24 -38.75 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 110.979 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -48.47 -49.28 36.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.17 -45.36 7.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 2.1 mt-30 -44.28 -56.73 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.636 ' HA ' ' CD1' ' A' ' 93' ' ' ILE . 9.0 mp -47.02 -49.34 21.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.542 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.5 t -54.69 -14.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 27.9 t0 -79.71 -71.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.636 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.37 -47.52 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.378 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.565 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -51.69 -24.63 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.399 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 0.9 OUTLIER -76.21 -30.38 57.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 109.639 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -87.49 -23.89 38.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.3 m -90.62 -61.19 1.73 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.6 tm-20 -45.59 -32.57 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.97 -30.72 61.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.357 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.25 -8.28 33.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.431 1.082 . . . . 0.0 110.052 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.597 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -116.88 80.85 11.47 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.432 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.11 172.37 16.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.437 1.756 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 43.57 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.432 ' H ' ' C ' ' A' ' 102' ' ' PRO . 3.3 t-20 -61.87 148.73 42.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -55.24 -23.16 21.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.3 OUTLIER -83.67 30.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 105' ' ' ASP . 17.7 mtmt -40.21 -30.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 106' ' ' ASP . 12.2 t -54.86 -48.94 72.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 108.267 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.835 ' CE ' HG11 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -101.16 -6.73 23.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.984 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -89.41 -79.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 114' ' ' VAL . 10.9 m -43.66 -42.42 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.413 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.723 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -44.57 -46.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.492 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -42.54 -42.4 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.597 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -81.66 -49.07 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.226 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.79 -22.03 1.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.468 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 13.1 ptt? -102.74 -29.25 11.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 116' ' ' MET . 2.3 t -53.95 -47.46 71.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.317 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.463 ' CE1' HD21 ' A' ' 90' ' ' LEU . 2.0 t80 -63.88 -46.19 86.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -30.69 71.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -29.28 62.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.591 ' OE1' HD12 ' A' ' 90' ' ' LEU . 35.7 mt-10 -59.09 -35.59 73.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.63 HD13 ' N ' ' A' ' 122' ' ' ILE . 2.0 mm -75.76 -37.29 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.58 ' CE1' ' HG3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -46.89 -19.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.679 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.482 ' N ' ' C ' ' A' ' 122' ' ' ILE . 22.2 mtpt -95.57 26.15 4.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.817 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -46.04 -95.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.705 ' H ' HD13 ' A' ' 125' ' ' LEU . 10.4 t30 -97.66 -20.1 17.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.198 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.817 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -90.25 138.79 31.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 31.1 m -119.44 117.31 33.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.58 ' HG3' ' CE1' ' A' ' 123' ' ' HIS . 18.1 Cg_endo -75.06 50.24 2.49 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' PRO . 18.5 p-10 -40.26 -29.88 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.436 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -111.85 105.13 13.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.558 ' O ' ' HB1' ' A' ' 140' ' ' ALA . 1.6 m-20 -129.7 123.17 30.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -161.89 124.11 2.9 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.622 1.201 . . . . 0.0 109.298 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.49 ' HB ' HD13 ' A' ' 135' ' ' ILE . 72.2 t -115.18 -59.47 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.49 HD13 ' HB ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -105.63 -14.75 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.41 24.02 52.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -105.79 174.17 6.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 138' ' ' VAL . 14.3 m -65.8 100.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.68 -47.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' A' ' 132' ' ' ASP . . . -90.28 164.9 14.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.66 84.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -164.42 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -54.67 -25.04 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.633 HD11 ' OD1' ' A' ' 35' ' ' ASN . 4.3 mm -57.37 -38.17 61.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -1.63 40.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -124.03 106.37 10.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.2 p-10 -118.81 139.56 51.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.748 HD13 ' H ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -62.97 178.09 0.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.748 ' H ' HD13 ' A' ' 8' ' ' LEU . 46.7 m -48.07 -97.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 12' ' ' PHE . 77.9 m-20 -121.87 -39.05 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.652 ' ND2' ' H ' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -32.96 -37.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.44 1.088 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.918 ' CE2' HD21 ' A' ' 55' ' ' LEU . 13.0 m-85 -115.11 -66.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.41 1.069 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.506 ' HA2' ' SD ' ' A' ' 16' ' ' MET . . . -43.67 -35.97 3.26 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -80.79 -41.51 23.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 0.73 . . . . 0.0 109.372 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -57.28 -48.45 78.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.529 ' HE3' ' O ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.96 -37.17 69.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.21 -44.36 84.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' NE2' ' HD3' ' A' ' 14' ' ' LYS . 14.3 mt-30 -71.18 -33.56 70.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.765 ' SG ' HD12 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -65.7 -35.59 81.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 108.189 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -64.99 -7.31 11.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.69 -68.55 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.516 ' HG2' ' HA ' ' A' ' 19' ' ' CYS . 2.3 pt-20 -50.27 -44.44 53.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.765 HD12 ' SG ' ' A' ' 19' ' ' CYS . 58.7 mt -98.24 -9.94 24.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.549 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 49.09 18.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.666 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -81.81 168.71 22.27 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.978 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.5 Cg_endo -74.93 119.89 5.86 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 52.9 p-10 -67.76 -1.15 4.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.224 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 26' ' ' PRO . 33.7 p -81.66 -39.16 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.978 HG22 ' O ' ' A' ' 26' ' ' PRO . 34.7 m -61.69 -36.66 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.421 ' HA ' ' CZ3' ' A' ' 37' ' ' TRP . 12.0 p -77.6 -31.19 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.185 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.582 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -68.03 -17.56 64.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -78.97 -19.69 51.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.374 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.841 HD22 ' O ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -56.65 -52.53 64.55 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.45 1.094 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.66 -23.68 67.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.633 ' OD1' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -77.9 -76.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.177 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.592 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 40.8 p90 173.91 66.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.728 ' NE1' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -90.5 8.42 33.99 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -58.37 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -68.34 -34.36 75.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 37' ' ' TRP . 11.3 t0 -77.31 94.03 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.558 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 53.3 t80 -102.04 173.74 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.801 HG13 ' CA ' ' A' ' 46' ' ' ARG . 49.0 t -39.33 -29.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.544 1.153 . . . . 0.0 109.231 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' TYR . 2.2 tpp -38.48 -28.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -105.91 -57.11 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.659 ' OD2' HD23 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -138.8 106.06 5.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.801 ' CA ' HG13 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -59.56 -33.86 71.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.823 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -46.84 -43.98 19.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HB1' ' CZ3' ' A' ' 37' ' ' TRP . . . -55.9 -33.0 64.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.569 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -81.48 -30.54 36.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.79 -43.03 26.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.04 -46.93 75.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.537 HG22 ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -59.84 -42.16 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.05 -43.51 91.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.61 ' O ' HG22 ' A' ' 57' ' ' THR . 0.5 OUTLIER -67.87 -28.65 67.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.918 HD21 ' CE2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -52.96 -34.97 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.32 -12.93 61.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.198 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.72 -58.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.761 ' O ' HG22 ' A' ' 61' ' ' VAL . 8.9 mmtt -111.51 101.89 10.27 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.473 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -71.9 -19.6 61.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -34.84 79.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 58' ' ' LYS . 27.2 m -84.18 -37.76 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.79 -43.26 80.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 2.2 p-10 -131.34 106.12 14.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 109.226 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.579 1.831 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.59 3.89 19.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.457 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.33 44.15 2.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -50.64 -37.57 41.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 0.795 . . . . 0.0 109.249 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.023 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.43 -174.4 0.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 39.8 m170 -146.45 116.49 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.539 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -41.43 140.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.587 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.84 -45.5 3.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 111.065 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -127.57 81.18 2.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 0.75 . . . . 0.0 109.246 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.46 127.63 32.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.392 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 76' ' ' PHE . 7.8 mttm -60.69 172.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.54 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 66.4 m-20 -70.41 1.68 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 109.23 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' H ' ' C ' ' A' ' 74' ' ' LYS . 18.9 m-85 -88.59 -45.64 9.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -64.29 -58.86 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.54 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -77.48 41.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 111.048 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.477 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 11.7 tttt -152.81 -51.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -68.29 -6.2 22.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 0.0 109.569 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -152.72 23.86 0.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.825 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.43 134.46 46.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.562 ' O ' ' CG ' ' A' ' 86' ' ' MET . 7.6 m-20 -78.99 147.71 32.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -41.77 -31.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.413 ' OG1' ' HG3' ' A' ' 89' ' ' GLN . 1.3 t -64.27 -37.84 88.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.364 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.825 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -52.64 -29.21 25.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.474 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -52.92 -51.7 60.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.404 HE21 ' N ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -94.12 -45.47 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.241 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.5 mt-30 -44.75 -63.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.782 ' O ' HD13 ' A' ' 93' ' ' ILE . 33.5 mt -48.57 -44.69 36.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.598 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.1 t -55.28 -20.07 6.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 7.3 m-20 -71.56 -69.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.782 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.32 -46.89 91.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.638 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -53.48 -25.99 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.598 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.5 m170 -76.15 -31.14 58.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.657 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.432 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.13 -23.59 37.37 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.5 -62.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -45.08 -35.66 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.1 OUTLIER -72.3 -30.61 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.97 -7.13 37.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.924 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.53 84.26 11.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.57 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -75.08 176.29 10.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.428 1.751 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.06 47.25 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -63.8 141.5 58.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' A' ' 107' ' ' LYS . 7.3 m-20 -56.25 -18.49 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.4 OUTLIER -81.4 32.13 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 25.7 pttt -41.46 -25.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.4 1.062 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.49 ' N ' ' C ' ' A' ' 106' ' ' ASP . 25.5 t -60.09 -51.39 69.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -103.31 -4.73 23.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.57 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.5 -70.63 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.2 m -51.98 -43.21 63.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.6 -43.36 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.417 ' CG ' ' OH ' ' A' ' 41' ' ' TYR . 3.8 t0 -45.84 -54.03 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.388 1.055 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.56 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -71.72 -50.07 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.22 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -51.02 -20.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.478 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.52 -35.97 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.7 t -41.95 -50.06 4.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.522 1.139 . . . . 0.0 108.311 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.2 OUTLIER -65.75 -46.13 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -59.93 -30.19 68.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.5 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.6 OUTLIER -61.47 -28.65 69.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.462 ' CD ' HG21 ' A' ' 93' ' ' ILE . 10.2 mm-40 -58.29 -28.64 65.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.238 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.674 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.6 mm -77.42 -37.56 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -47.12 -20.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.636 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.529 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -97.79 28.26 3.97 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.771 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -45.5 -103.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.509 ' H ' HD13 ' A' ' 125' ' ' LEU . 38.6 m-80 -101.33 -30.54 11.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.729 ' H ' HD13 ' A' ' 125' ' ' LEU . 8.8 p-90 -107.68 139.55 42.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.0 m -115.93 113.31 42.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 49.94 2.4 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.448 1.762 . . . . 0.0 110.987 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -40.98 -32.66 0.25 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.86 106.69 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.572 ' O ' HG23 ' A' ' 134' ' ' VAL . 0.8 OUTLIER -114.01 124.34 51.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.812 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.8 126.08 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 132' ' ' ASP . 55.0 t -113.64 -51.95 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.434 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.494 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.09 -15.26 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.02 33.14 18.95 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.16 162.5 12.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 138' ' ' VAL . 16.4 m -65.55 101.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.376 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 179.4 -46.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -96.89 164.93 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.46 86.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.387 1.054 . . . . 0.0 109.339 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 5' ' ' MET . 92.7 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.551 1.816 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 5.7 mp0 -54.0 -25.0 18.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.538 HG23 ' HB1' ' A' ' 31' ' ' ALA . 4.2 mm -58.93 -37.75 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.447 ' CB ' ' HB2' ' A' ' 1' ' ' SER . 0.0 OUTLIER -83.03 -1.6 53.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 12.4 tttp -115.4 105.07 12.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.394 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.6 p-10 -131.1 139.63 49.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.807 HD13 ' N ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -60.06 170.5 1.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.807 ' N ' HD13 ' A' ' 8' ' ' LEU . 59.7 m -46.85 -78.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.402 1.063 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' PHE . 18.2 m120 -121.23 -38.84 2.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.427 1.079 . . . . 0.0 109.359 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.782 ' ND2' HG23 ' A' ' 61' ' ' VAL . 6.5 t-20 -36.78 -33.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.474 ' CD1' HD21 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -115.64 -69.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.15 -34.03 1.41 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 1.6 tmmm? -81.19 -53.72 6.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.754 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.733 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -57.75 -42.99 85.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.512 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 30.0 mmt -64.48 -42.67 95.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.33 -47.52 56.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 10.2 mt-30 -64.27 -40.13 95.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.486 ' O ' HD12 ' A' ' 25' ' ' LEU . 8.1 m -59.71 -39.02 83.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 108.324 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -67.96 -5.32 16.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -112.03 -69.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -45.25 -44.38 11.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 50' ' ' CYS . 0.2 OUTLIER -98.74 -11.98 21.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 52.26 17.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.378 1.049 . . . . 0.0 110.065 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.722 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.96 167.3 28.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.758 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.6 Cg_endo -74.87 121.26 6.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.557 ' HA ' HG12 ' A' ' 30' ' ' VAL . 45.8 t0 -68.2 -0.89 5.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 26' ' ' PRO . 26.9 p -81.47 -41.97 20.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 26' ' ' PRO . 14.4 m -65.29 -36.45 77.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 27' ' ' ASP . 12.6 p -77.74 -32.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.538 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -68.47 -17.05 64.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.56 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 66.8 t0 -75.85 -32.39 59.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' N ' ' HE1' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -53.92 -28.05 34.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.361 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -73.44 -26.0 60.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.61 1.194 . . . . 0.0 110.992 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.577 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -70.3 -74.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CG ' ' C ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER 159.99 34.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.612 ' CZ3' ' CG ' ' A' ' 40' ' ' ASP . 1.2 p-90 -93.66 24.64 3.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 107.966 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 85.0 mttt -48.08 -40.82 24.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -49.47 -23.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.612 ' CG ' ' CZ3' ' A' ' 37' ' ' TRP . 10.3 t70 -89.02 93.27 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 120' ' ' LYS . 2.1 m-85 -87.83 175.64 7.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.909 HG22 ' HA ' ' A' ' 46' ' ' ARG . 25.1 t -40.12 -29.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.235 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -40.45 -25.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.958 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -112.48 -59.14 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -132.78 106.17 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.909 ' HA ' HG22 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -71.28 -33.77 70.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.817 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -47.75 -44.18 27.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -57.28 -32.2 66.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.29 -30.36 34.17 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.58 ' HB3' HD22 ' A' ' 23' ' ' LEU . 1.1 m -79.22 -43.83 23.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -59.44 -48.21 82.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -59.88 -40.12 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -42.7 99.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.628 ' O ' HG22 ' A' ' 57' ' ' THR . 0.0 OUTLIER -65.71 -18.35 65.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 108.35 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.733 HD22 ' CB ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -53.07 -34.92 58.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.24 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.863 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -74.9 -12.39 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.637 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -15.69 -58.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.438 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 1.108 ' O ' HG22 ' A' ' 61' ' ' VAL . 10.1 mmtt -109.12 105.58 15.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 56' ' ' ALA . 4.8 mt -72.27 -15.49 61.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -29.88 61.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.108 HG22 ' O ' ' A' ' 58' ' ' LYS . 24.5 m -76.08 -36.74 31.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.72 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -83.9 -46.38 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.375 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.474 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -125.8 110.08 25.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -41.12 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 3.19 20.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.59 44.42 2.31 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 0.1 OUTLIER -50.93 -36.56 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.005 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -170.1 -174.3 1.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.48 ' N ' HD13 ' A' ' 68' ' ' LEU . 56.6 m-70 -146.04 114.13 6.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.569 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.533 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 9.7 t60 -37.95 142.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.33 -45.76 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -125.29 75.03 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.05 130.43 43.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 171.64 1.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 109.242 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.524 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 2.2 m-20 -69.75 -2.25 11.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.282 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -88.79 -46.07 9.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -63.18 -58.51 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.524 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -78.12 41.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.939 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.483 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 15.4 tptt -153.53 -53.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.379 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -5.77 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -159.54 36.36 0.47 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.529 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.75 130.51 43.85 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.578 0.811 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -69.95 140.41 53.01 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.446 1.091 . . . . 0.0 109.373 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -44.78 -33.18 1.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.3 t -77.83 -44.18 28.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.435 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.675 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.63 -26.13 55.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.439 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -63.72 -49.07 74.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.21 -47.31 9.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.553 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 24.2 mm100 -42.8 -55.57 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.675 HD22 ' SD ' ' A' ' 86' ' ' MET . 7.4 mp -46.48 -47.26 19.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.562 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.0 t -53.96 -15.44 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.483 1.115 . . . . 0.0 109.375 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -78.15 -71.03 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.638 ' CD1' ' HA ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.13 -47.28 85.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.596 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.0 -24.02 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -75.65 -31.34 59.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.577 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.77 -23.69 35.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.572 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.7 OUTLIER -89.0 -63.88 1.23 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 4.7 tt0 -45.28 -33.1 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 12.2 pttt -73.99 -31.45 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.56 -8.82 34.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.621 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -117.5 79.95 12.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.425 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.97 173.2 14.91 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 43.2 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' A' ' 102' ' ' PRO . 6.2 t-20 -62.02 147.99 45.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.421 ' C ' ' H ' ' A' ' 107' ' ' LYS . 10.7 p-10 -53.09 -26.15 15.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 109' ' ' MET . 17.4 m-20 -83.55 29.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 105' ' ' ASP . 2.7 pttt -40.2 -29.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 106' ' ' ASP . 7.7 t -51.82 -47.24 64.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 108.3 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 106' ' ' ASP . 12.0 ttt -101.77 -7.56 22.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -90.2 -79.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.7 m -43.26 -42.91 4.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -45.91 -45.81 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.591 1.182 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.52 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 4.4 t0 -42.44 -50.97 5.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.621 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.77 -58.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.02 -22.61 0.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 120' ' ' LYS . 38.0 ttp -101.34 -35.77 9.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.606 1.192 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 0.8 OUTLIER -47.73 -45.78 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.3 OUTLIER -63.86 -51.26 65.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -62.88 -30.32 71.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -61.39 -26.3 67.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.575 ' OE2' HD11 ' A' ' 93' ' ' ILE . 43.9 mt-10 -56.66 -36.62 69.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 110.362 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.649 HD13 ' N ' ' A' ' 122' ' ' ILE . 2.2 mm -64.72 -36.21 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -46.28 -21.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 0.0 109.536 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.54 ' O ' ' O ' ' A' ' 125' ' ' LEU . 1.9 ptmt -97.88 28.84 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.753 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -45.46 -102.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.524 ' H ' HD13 ' A' ' 125' ' ' LEU . 9.8 t30 -103.2 -30.04 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.738 ' H ' HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -107.37 136.46 47.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 107.994 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.1 m -121.42 89.41 47.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 49.47 2.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -47.78 -29.32 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.2 mtt -123.87 102.57 7.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.443 1.09 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.553 ' O ' HG13 ' A' ' 134' ' ' VAL . 18.9 t70 -130.37 98.05 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.603 1.189 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.821 HD23 ' HA2' ' A' ' 136' ' ' GLY . 0.0 OUTLIER -62.63 111.61 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 132' ' ' ASP . 26.1 m -116.22 -11.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.483 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.29 -20.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.258 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.821 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 82.63 32.4 27.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.31 169.49 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 138' ' ' VAL . 12.9 m -75.65 103.38 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -175.18 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.481 ' HB3' ' CA ' ' A' ' 133' ' ' LEU . . . -110.89 165.1 12.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -70.89 92.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.621 HG23 ' HG ' ' A' ' 133' ' ' LEU . 10.4 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -163.47 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.543 1.812 . . . . 0.0 110.969 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.575 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 7.8 mm-40 -54.38 -25.32 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.373 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.2 mm -57.95 -39.0 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -2.69 24.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 111.061 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -125.63 106.45 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -119.0 139.06 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.583 HD11 ' N ' ' A' ' 12' ' ' PHE . 2.2 pp -69.72 -166.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.476 ' O ' ' O ' ' A' ' 8' ' ' LEU . 25.1 m -47.78 -101.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' A' ' 12' ' ' PHE . 13.1 m-20 -124.22 -33.8 3.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.547 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -29.79 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.616 ' N ' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -110.57 -65.77 1.13 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.973 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.85 -38.82 4.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -73.87 -54.93 6.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 0.805 . . . . 0.0 109.352 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.767 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -55.96 -35.77 67.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.64 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -69.85 -48.96 56.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -67.37 -38.74 85.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 16.1 mt-30 -71.13 -42.09 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.373 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.526 ' O ' HD12 ' A' ' 25' ' ' LEU . 16.8 m -61.85 -37.76 85.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.604 1.19 . . . . 0.0 108.345 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -67.28 -5.62 14.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -112.28 -69.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -47.56 -43.68 25.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.17 . . . . 0.0 110.347 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.519 ' HB2' HD12 ' A' ' 25' ' ' LEU . 3.2 mt -98.83 -11.52 21.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.555 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.55 17.8 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.935 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.699 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.08 168.51 22.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.754 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.1 Cg_endo -75.04 119.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.392 1.733 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.585 ' HA ' HG12 ' A' ' 30' ' ' VAL . 48.0 p-10 -67.06 -1.57 4.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.427 ' H ' ' C ' ' A' ' 26' ' ' PRO . 24.2 p -81.29 -42.26 20.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 26' ' ' PRO . 12.2 m -65.32 -36.86 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 27' ' ' ASP . 11.9 p -77.68 -33.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 109.25 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 27' ' ' ASP . . . -69.88 -18.18 63.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 51.2 t0 -74.75 -31.1 61.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.195 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.619 HD12 ' NE1' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -51.77 -38.68 56.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 3' ' ' GLU . 1.6 t80 -73.12 -21.49 60.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.547 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 1.6 t30 -69.74 -73.3 0.16 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 159.61 31.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.619 ' NE1' HD12 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -94.76 25.43 4.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 108.004 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 40' ' ' ASP . 2.9 mptt -47.02 -47.71 22.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.518 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 8.6 t70 -48.66 -24.58 1.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.615 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 10.4 t70 -83.13 90.29 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 55.6 t80 -88.56 174.41 8.09 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.559 ' N ' ' CG ' ' A' ' 41' ' ' TYR . 46.5 t -38.39 -30.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' TYR . 7.9 ptt? -42.42 -24.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.55 -57.95 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' OD2' HG21 ' A' ' 29' ' ' VAL . 2.0 t70 -129.61 117.34 20.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLY . 1.8 ttt180 -78.58 -39.93 36.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.645 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -46.66 -43.11 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.26 -32.58 56.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.38 1.05 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.509 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -79.48 -30.99 42.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.135 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.94 -46.05 17.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.481 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -54.73 -47.26 74.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.466 HG22 ' C ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -59.68 -38.82 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' HA ' ' NE2' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -59.61 -47.0 87.3 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.595 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -64.24 -25.73 68.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 108.246 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.767 HD22 ' CB ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -53.19 -34.45 57.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.626 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.39 -12.54 61.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.626 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -17.58 -59.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.405 1.065 . . . . 0.0 110.424 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.645 ' O ' HG22 ' A' ' 61' ' ' VAL . 11.5 mmtt -111.36 96.12 5.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.688 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -64.13 -15.63 60.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 0.0 109.23 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -69.89 -22.8 63.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.3 m -82.32 -41.1 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.688 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.59 -45.56 21.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.417 ' HB2' ' N ' ' A' ' 67' ' ' ASN . 4.6 p30 -122.71 103.43 37.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 -42.06 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.82 1.71 16.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.83 39.52 2.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.586 1.178 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.417 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 53.1 t30 -52.84 -37.86 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.002 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -166.37 -175.95 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 39.6 m170 -146.83 118.91 8.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.54 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.557 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 10.2 t60 -42.32 140.91 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.539 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.16 -45.3 3.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -125.84 73.5 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.617 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -60.77 131.25 50.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 76' ' ' PHE . 1.3 mttt -60.64 170.76 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.59 ' HA ' ' HE1' ' A' ' 78' ' ' MET . 99.3 m-20 -72.66 5.49 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.439 ' H ' ' C ' ' A' ' 74' ' ' LYS . 2.0 t80 -105.56 -29.31 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -64.24 -78.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.806 ' HE2' ' HB2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -74.34 42.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.035 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.806 ' HB2' ' HE2' ' A' ' 78' ' ' MET . 0.6 OUTLIER -145.27 -50.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -6.42 14.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.66 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.93 23.22 2.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB1' ' CB ' ' A' ' 86' ' ' MET . . . -132.62 160.14 37.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -87.63 148.28 24.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -43.12 -27.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.36 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.512 HG22 ' HB2' ' A' ' 83' ' ' ASP . 4.7 t -69.39 -39.45 77.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.562 ' HE3' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -47.58 -37.45 12.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.452 ' N ' ' SD ' ' A' ' 86' ' ' MET . . . -52.26 -48.45 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.412 HE21 ' N ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -87.85 -52.07 5.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 21.7 mm100 -41.01 -62.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.859 HD21 ' CE1' ' A' ' 118' ' ' PHE . 4.7 mp -49.3 -45.6 45.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -55.43 -17.26 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 109.389 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 30.7 t0 -75.41 -68.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.685 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.15 -47.13 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.646 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.71 -25.47 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.586 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.0 OUTLIER -75.95 -31.99 59.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.512 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.444 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -90.03 -23.89 31.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.368 1.042 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -89.74 -62.49 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.5 tt0 -44.88 -34.94 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -72.15 -30.89 65.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.55 -8.45 31.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.027 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.592 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -117.25 80.76 12.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 104' ' ' ASN . 17.9 Cg_endo -75.2 171.37 18.42 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 43.2 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 110.969 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.445 ' CB ' ' HG2' ' A' ' 110' ' ' LYS . 6.7 t-20 -62.15 150.17 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 107' ' ' LYS . 24.0 m-20 -55.18 -21.68 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -83.66 30.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 105' ' ' ASP . 0.5 OUTLIER -39.72 -29.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.465 ' N ' ' C ' ' A' ' 106' ' ' ASP . 2.8 t -51.16 -49.53 60.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 108.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.476 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 5.7 ttt -103.53 -4.95 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.445 ' HG2' ' CB ' ' A' ' 104' ' ' ASN . 0.4 OUTLIER -88.65 -75.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.383 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.6 m -50.77 -44.91 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.711 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.58 -45.74 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.408 1.067 . . . . 0.0 109.264 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.418 ' CG ' ' OH ' ' A' ' 41' ' ' TYR . 2.2 t0 -42.08 -48.32 4.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.592 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -76.98 -50.1 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 109.227 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.48 -21.17 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.598 ' SD ' HD11 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -103.81 -35.29 8.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.92 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 1.2 t -48.57 -51.19 28.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 108.237 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.859 ' CE1' HD21 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -65.31 -37.05 85.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -68.09 -30.56 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.4 OUTLIER -62.73 -31.34 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.375 1.047 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.682 ' CD ' HG21 ' A' ' 93' ' ' ILE . 23.5 mm-40 -58.93 -28.89 66.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.252 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.651 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.6 mm -78.55 -37.81 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -46.86 -20.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.669 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.467 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 1.6 mtmp? -96.87 27.67 3.87 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.939 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -44.93 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.652 ' H ' HD13 ' A' ' 125' ' ' LEU . 2.9 t30 -106.15 -3.19 21.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.939 ' CD2' HD11 ' A' ' 125' ' ' LEU . 1.4 m0 -88.82 154.19 20.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.046 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 128' ' ' VAL . 6.3 p -97.85 118.11 64.35 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.467 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.1 Cg_endo -75.04 51.08 2.71 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.489 1.783 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -42.86 -26.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.433 ' N ' ' C ' ' A' ' 129' ' ' PRO . 4.8 ttp -93.09 101.55 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 133' ' ' LEU . 6.0 p-10 -128.17 126.31 40.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.848 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -31.97 120.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.385 1.053 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 132' ' ' ASP . 0.3 OUTLIER -115.65 8.51 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.408 1.068 . . . . 0.0 109.359 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.546 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -97.05 -11.42 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.78 32.55 21.19 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.447 1.092 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.489 ' H ' HD23 ' A' ' 133' ' ' LEU . 5.2 tm-20 -103.71 134.46 46.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 138' ' ' VAL . 14.2 m -66.44 110.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.1 tp -176.57 -75.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.768 ' HB3' HD12 ' A' ' 133' ' ' LEU . . . -78.44 165.46 23.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.198 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.4 89.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.45 ' CA ' HD11 ' A' ' 133' ' ' LEU . 8.4 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -166.8 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.457 1.767 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -55.79 -25.84 43.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.77 HD12 ' HB1' ' A' ' 31' ' ' ALA . 6.8 mm -50.25 -37.8 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -19.5 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -111.32 104.87 13.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -120.28 138.53 53.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.552 HD11 ' HB2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -70.99 -169.36 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.241 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' LEU . 30.1 t -49.48 -101.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 12' ' ' PHE . 10.4 m-20 -124.54 -32.77 3.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.556 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -27.79 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 1.057 ' CE1' HD21 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -108.07 -63.94 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.39 -37.87 3.66 Favored Glycine 0 CA--C 1.532 1.123 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -74.48 -53.16 10.07 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.578 0.811 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.612 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -56.5 -37.05 69.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 109.263 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.721 ' CE ' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -69.41 -47.85 62.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.63 -41.93 87.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 109.247 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.2 mt-30 -69.03 -41.26 77.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 110.217 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' O ' HD12 ' A' ' 25' ' ' LEU . 10.0 m -61.82 -36.86 82.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 108.33 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.548 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -67.47 -5.89 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.24 -69.13 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -46.53 -43.75 17.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.507 ' HB2' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -99.06 -11.82 21.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.0 m 52.35 16.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.717 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.34 168.22 23.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.947 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -74.94 121.91 6.9 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 33.3 p-10 -68.61 -1.97 7.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 p -81.7 -39.58 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.947 HG22 ' O ' ' A' ' 26' ' ' PRO . 29.3 m -63.98 -36.51 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.53 HG11 ' HG3' ' A' ' 16' ' ' MET . 8.8 p -77.88 -33.3 18.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.77 ' HB1' HD12 ' A' ' 4' ' ' ILE . . . -71.93 -17.86 62.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.564 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 50.0 t0 -76.52 -29.75 56.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 33' ' ' LEU . 10.5 mt -50.81 -42.77 58.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -20.4 60.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.552 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -67.18 -73.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER 159.8 29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.564 ' CG ' ' CG ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -95.57 27.25 3.5 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 14.7 mttm -44.69 -56.69 4.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 1.177 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.614 ' CB ' ' CD2' ' A' ' 123' ' ' HIS . 0.7 OUTLIER -47.23 -25.38 0.92 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.381 1.051 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.525 ' OD1' ' CZ3' ' A' ' 37' ' ' TRP . 13.5 t0 -98.74 53.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 38' ' ' LYS . 5.1 m-85 -80.37 -170.39 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.943 HG23 ' HA ' ' A' ' 46' ' ' ARG . 2.4 p -33.93 -35.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.1 ttm -43.6 -24.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.403 1.065 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -118.76 -49.14 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -124.24 98.65 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.943 ' HA ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -58.76 -40.27 83.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.65 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.05 -43.18 19.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.226 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.37 -33.01 65.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -80.97 -28.66 44.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.57 -44.65 20.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.455 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . . . -58.39 -47.06 85.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -60.79 -39.17 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.359 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.04 -45.65 90.22 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.577 ' O ' HG22 ' A' ' 57' ' ' THR . 0.0 OUTLIER -68.37 -26.62 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 108.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.057 HD21 ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -52.64 -35.05 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -70.6 -13.07 61.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.71 -58.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.743 ' O ' HG22 ' A' ' 61' ' ' VAL . 17.0 mmtt -111.39 102.76 11.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.659 HD23 ' CD2' ' A' ' 69' ' ' HIS . 1.1 mp -72.33 -17.75 61.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.66 -32.71 74.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 58' ' ' LYS . 23.6 m -85.92 -38.21 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.439 HG12 ' OD1' ' A' ' 63' ' ' ASP . 1.4 t -72.0 -42.04 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.473 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -133.4 108.19 12.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -42.24 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -111.42 3.6 18.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.473 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 99.96 46.9 1.83 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -52.53 -36.93 56.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 109.389 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.017 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -173.05 -175.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.659 ' CD2' HD23 ' A' ' 59' ' ' LEU . 28.4 m80 -146.76 117.33 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.65 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.496 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 15.6 p-80 -39.28 140.92 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.476 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.88 -45.16 3.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.427 1.08 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -128.24 81.93 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.85 131.27 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -60.55 170.76 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.387 1.054 . . . . 0.0 109.225 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.502 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 12.2 m-20 -71.68 2.25 5.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 109.364 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.417 ' H ' ' C ' ' A' ' 74' ' ' LYS . 1.3 m-85 -90.06 -45.9 8.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.075 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.57 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -60.74 -58.74 7.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.215 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.502 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -80.26 41.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.951 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.481 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 4.4 tptp -155.35 -48.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 1.8 p-80 -64.81 -6.94 9.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -152.49 22.11 0.83 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.781 ' HB1' ' HG3' ' A' ' 86' ' ' MET . . . -134.01 138.46 45.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.447 ' N ' ' HB3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -69.32 151.02 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -43.86 -34.35 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 t -80.49 -42.72 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.41 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.781 ' HG3' ' HB1' ' A' ' 82' ' ' ALA . 9.1 tpp -53.86 -43.27 69.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.86 -47.65 64.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.74 -38.95 64.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.234 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 9.7 mt-30 -49.78 -53.07 27.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.762 ' O ' HD13 ' A' ' 93' ' ' ILE . 12.8 mt -47.52 -48.09 27.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.493 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 3.5 t -53.63 -18.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 2.1 m-20 -74.88 -68.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.762 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.84 -46.97 87.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.707 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -51.99 -24.96 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.381 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.52 -29.73 56.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.553 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.85 -24.91 31.12 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 100' ' ' SER . 8.8 m -90.54 -61.66 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 3.1 tt0 -45.83 -32.86 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.57 -30.68 61.81 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.408 1.067 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.562 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.65 -7.43 40.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 109.99 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.91 80.7 9.1 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.04 171.54 18.12 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 43.14 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.008 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.457 ' CB ' ' HG2' ' A' ' 110' ' ' LYS . 10.6 t-20 -62.03 150.44 38.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.623 1.202 . . . . 0.0 109.37 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 107' ' ' LYS . 77.3 m-20 -52.29 -25.16 8.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -84.36 28.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -40.31 -29.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.451 ' N ' ' C ' ' A' ' 106' ' ' ASP . 4.7 t -54.43 -49.91 68.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 106' ' ' ASP . 6.2 ptm -102.95 -4.3 24.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.457 ' HG2' ' CB ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -89.23 -79.29 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 114' ' ' VAL . 5.6 m -48.88 -44.79 40.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 110.441 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.697 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.04 -47.64 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 1.7 t0 -38.91 -56.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.506 ' HA ' ' HB2' ' A' ' 117' ' ' CYS . 1.5 p -77.96 -47.7 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.697 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -46.71 -25.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 109.346 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.634 ' SD ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -99.59 -31.03 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.989 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.506 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 7.2 t -40.43 -49.09 2.84 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.153 . . . . 0.0 108.277 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -67.22 -44.22 80.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -59.06 -30.42 68.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.465 ' HG3' ' CD2' ' A' ' 41' ' ' TYR . 13.1 mttt -65.26 -27.08 68.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -57.21 -34.11 68.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.766 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.3 mm -67.7 -39.88 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.614 ' CD2' ' CB ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -50.03 -16.3 0.28 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 0.0 109.58 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.492 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -95.85 24.16 5.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.863 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.82 -95.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.623 ' H ' HD13 ' A' ' 125' ' ' LEU . 4.3 m-80 -108.83 -4.53 16.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.572 1.17 . . . . 0.0 109.378 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.863 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -92.06 157.41 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 128' ' ' VAL . 22.0 m -100.48 117.72 62.38 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.1 Cg_endo -75.08 51.34 2.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.6 p30 -39.51 -30.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.455 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -101.34 100.76 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.473 ' HB2' ' CA ' ' A' ' 141' ' ' GLU . 0.4 OUTLIER -126.44 96.18 4.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.893 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -176.19 105.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.504 HG22 HD13 ' A' ' 135' ' ' ILE . 11.6 m -116.31 -14.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.504 HD13 HG22 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -107.41 -20.79 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.91 23.11 75.94 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.4 174.73 9.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 0.779 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 138' ' ' VAL . 16.1 m -65.38 102.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.5 -64.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.36 167.22 22.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.473 ' CA ' ' HB2' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -73.63 85.16 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -163.06 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.419 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 3.9 mt-10 -54.74 -25.53 28.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.257 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.968 HG23 ' HB1' ' A' ' 31' ' ' ALA . 4.6 mm -56.64 -36.68 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.19 0.33 56.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -121.8 105.1 10.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 6.3 p-10 -123.57 146.91 47.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.915 HD22 ' HB3' ' A' ' 11' ' ' ASN . 1.4 tt -62.0 -179.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.586 ' N ' HD23 ' A' ' 8' ' ' LEU . 40.7 m -49.3 -92.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.516 ' CB ' ' HB2' ' A' ' 14' ' ' LYS . 32.7 m-20 -120.89 -35.77 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.915 ' HB3' HD22 ' A' ' 8' ' ' LEU . 3.7 t30 -38.32 -30.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.705 ' HE1' HD21 ' A' ' 55' ' ' LEU . 4.5 m-30 -113.69 -71.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.35 -34.84 3.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.138 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 15.4 ttpt -78.68 -53.79 6.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . -55.79 -44.32 77.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.43 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 30.7 mmt -67.38 -38.93 85.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.07 -35.39 74.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.506 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 9.6 mt-30 -61.47 -45.11 95.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.578 ' HB2' HD11 ' A' ' 25' ' ' LEU . 5.2 m -58.58 -43.45 89.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 108.312 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' CD ' ' HB3' ' A' ' 27' ' ' ASP . 0.5 OUTLIER -56.1 -13.92 2.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -110.45 -71.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.553 ' HG3' HD23 ' A' ' 23' ' ' LEU . 5.0 pt-20 -57.65 -34.52 69.44 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.582 1.177 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 22' ' ' GLU . 3.9 mm? -98.42 -12.63 21.19 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.431 1.082 . . . . 0.0 109.386 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER 46.0 20.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.594 1.184 . . . . 0.0 110.03 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.655 HD21 HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.64 166.73 21.34 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.761 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -75.05 122.78 7.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' HB3' ' CD ' ' A' ' 20' ' ' LYS . 20.1 p-10 -68.45 1.1 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 26' ' ' PRO . 14.3 p -83.51 -40.94 18.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 26' ' ' PRO . 15.6 m -65.4 -37.9 81.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.655 HG13 HD21 ' A' ' 25' ' ' LEU . 34.1 m -70.11 -30.49 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.968 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -68.06 -23.35 64.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -63.56 -32.51 74.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.23 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.594 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -50.73 -47.09 59.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.484 ' OH ' ' CD2' ' A' ' 12' ' ' PHE . 81.2 m-85 -58.94 -24.19 62.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 1.4 t-20 -77.47 -73.21 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER 158.62 42.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.658 ' CE3' ' C ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.92 19.65 6.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 107.935 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.622 ' C ' ' CD2' ' A' ' 123' ' ' HIS . 1.5 mttt -46.91 -59.5 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.491 ' CA ' ' HB3' ' A' ' 123' ' ' HIS . 6.9 t70 -48.05 -26.47 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.259 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.588 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 3.4 t70 -69.66 88.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.49 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 3.8 m-85 -72.85 162.04 29.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.465 ' CB ' ' HA ' ' A' ' 46' ' ' ARG . 32.6 m -40.72 -29.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.48 ' HB3' HD13 ' A' ' 139' ' ' LEU . 4.2 ptt? -41.15 -26.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -113.13 -50.18 2.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -133.91 91.39 2.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' GLY . 3.6 ttm-85 -71.54 -38.98 70.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.645 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -48.94 -43.86 40.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' HB1' ' CZ2' ' A' ' 37' ' ' TRP . . . -58.92 -26.25 64.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.5 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.1 -29.52 37.43 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -87.92 -38.92 15.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.518 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . . . -63.5 -48.72 76.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.464 HD13 HD12 ' A' ' 33' ' ' LEU . 1.9 tp -48.64 -36.75 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.08 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 50' ' ' CYS . 0.5 OUTLIER -55.48 -38.88 69.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.717 ' O ' HG22 ' A' ' 57' ' ' THR . 3.3 m -54.89 -29.78 56.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.705 HD21 ' HE1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -52.2 -32.34 35.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.254 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.608 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.47 -17.14 60.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.8 OUTLIER -19.54 -61.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.752 ' O ' HG22 ' A' ' 61' ' ' VAL . 6.9 mmtt -114.75 104.86 12.38 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.423 1.077 . . . . 0.0 109.236 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.575 HD23 ' CD2' ' A' ' 69' ' ' HIS . 1.2 mp -70.65 -20.37 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 109.345 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -35.04 79.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 58' ' ' LYS . 27.4 m -84.97 -37.88 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.38 1.05 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -45.21 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 2.7 p30 -127.1 103.92 22.99 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 -42.67 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.628 1.857 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.1 4.26 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.42 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.75 43.18 2.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 111.04 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 0.4 OUTLIER -51.12 -39.52 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.027 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.42 -174.28 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 0.0 109.354 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.575 ' CD2' HD23 ' A' ' 59' ' ' LEU . 48.4 m80 -146.12 117.37 7.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.652 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.498 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -42.1 139.37 1.37 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 109.589 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.467 ' HA2' ' CG2' ' A' ' 111' ' ' THR . . . 79.8 -46.21 3.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -126.33 83.46 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -64.55 130.6 44.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -60.43 169.39 1.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 1.0 OUTLIER -72.62 5.86 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.436 ' H ' ' C ' ' A' ' 74' ' ' LYS . 31.7 m-85 -105.05 -29.12 10.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.775 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -65.78 -77.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.637 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.24 42.97 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 111.0 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 77' ' ' ALA . 4.8 tmtt? -143.64 -55.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.38 -6.42 18.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.64 43.31 0.69 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.43 1.081 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 1.008 ' HB1' ' HG2' ' A' ' 86' ' ' MET . . . -130.56 154.67 47.59 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 0.798 . . . . 0.0 109.386 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -96.35 143.99 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.22 -31.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' ' 83' ' ' ASP . 6.0 t -74.35 -42.32 59.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.368 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 1.008 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.74 -23.59 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -59.47 -53.28 59.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.68 -44.44 9.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.216 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 92' ' ' ASP . 25.1 mm100 -42.93 -59.24 2.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.456 1.097 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.926 HD21 ' CD1' ' A' ' 118' ' ' PHE . 8.4 mp -45.49 -45.79 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.546 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.4 t -52.58 -16.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 89' ' ' GLN . 6.4 m-20 -77.55 -69.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.41 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.666 HD13 ' H ' ' A' ' 94' ' ' ILE . 0.2 OUTLIER -67.08 -47.22 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.666 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -51.64 -24.45 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.602 1.189 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.37 -32.29 58.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.551 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.24 -23.13 35.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -87.41 -64.18 1.19 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.56 -35.54 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.426 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 19.1 pttt -72.0 -31.08 65.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.5 -7.13 38.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.088 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.589 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -116.03 82.98 11.66 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.53 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.95 175.37 11.31 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.515 1.797 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 45.12 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.477 1.777 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.404 ' H ' ' C ' ' A' ' 102' ' ' PRO . 0.6 OUTLIER -62.29 143.84 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 107' ' ' LYS . 21.5 m-20 -55.88 -20.71 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 109' ' ' MET . 1.0 OUTLIER -82.28 30.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 111' ' ' THR . 5.9 pttt -40.67 -27.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' ASP . 10.3 t -62.04 -51.89 66.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.37 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.503 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -91.4 -12.14 35.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.53 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.8 OUTLIER -90.14 -67.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 12.9 m -40.93 -45.25 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.557 ' C ' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -47.44 -47.29 10.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.318 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 4.5 t0 -41.61 -53.82 3.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.589 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -80.48 -56.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.428 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -43.27 -23.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -102.78 -36.74 8.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 4.7 t -40.14 -54.14 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 108.351 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.926 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -66.67 -35.17 79.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.479 ' O ' ' CE1' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -69.22 -36.03 76.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.641 ' HA ' ' CD2' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -58.44 -31.05 67.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.426 ' OE2' ' CG ' ' A' ' 141' ' ' GLU . 8.5 mm-40 -60.43 -28.85 68.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.582 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.7 mm -82.3 -38.18 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.641 ' CD2' ' HA ' ' A' ' 120' ' ' LYS . 1.1 m-70 -47.95 -19.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.567 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -96.97 27.06 4.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.356 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.801 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.37 -95.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.616 ' H ' HD13 ' A' ' 125' ' ' LEU . 3.4 t30 -98.52 -3.71 35.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.712 ' CD2' HD11 ' A' ' 125' ' ' LEU . 1.7 m0 -90.03 153.76 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 107.997 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.2 m -108.96 117.32 54.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.463 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.3 Cg_endo -75.08 52.21 3.02 Favored 'Trans proline' 0 C--N 1.362 1.256 0 O-C-N 124.448 1.762 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 129' ' ' PRO . 5.3 t30 -39.92 -28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.244 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.463 ' N ' ' C ' ' A' ' 129' ' ' PRO . 4.3 tpp -93.2 101.17 13.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 133' ' ' LEU . 0.4 OUTLIER -122.89 127.19 48.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -34.4 114.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.242 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.461 ' H ' HD13 ' A' ' 135' ' ' ILE . 5.4 p -116.64 6.1 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.565 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -101.77 -5.05 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.235 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.38 29.13 28.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -113.34 134.85 54.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 110.341 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 16.7 m -73.52 122.45 26.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 43' ' ' MET . 0.2 OUTLIER -179.1 -41.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.787 ' HB3' ' H ' ' A' ' 133' ' ' LEU . . . -111.12 165.24 12.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.426 ' CG ' ' OE2' ' A' ' 121' ' ' GLU . 8.2 tm-20 -72.29 91.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.401 1.063 . . . . 0.0 110.306 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.494 ' C ' ' CD1' ' A' ' 133' ' ' LEU . 48.3 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.408 1.068 . . . . 0.0 109.257 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -165.3 0.28 Allowed 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.406 1.74 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 1.3 mm-40 -54.91 -25.54 29.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 4' ' ' ILE . 5.1 mm -54.6 -38.66 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.22 1.99 42.02 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 111.09 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.595 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -109.35 106.12 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.231 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.9 p-10 -130.81 139.56 50.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.019 HD22 ' HB3' ' A' ' 11' ' ' ASN . 1.5 tt -62.25 177.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.625 ' N ' HD23 ' A' ' 8' ' ' LEU . 30.0 t -49.48 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 12' ' ' PHE . 3.9 m-20 -120.78 -38.72 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 1.019 ' HB3' HD22 ' A' ' 8' ' ' LEU . 2.9 t30 -36.24 -32.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.941 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.2 t80 -113.59 -67.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.55 -33.9 3.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 1.3 tmmt? -79.24 -53.32 7.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.606 0.827 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 19' ' ' CYS . . . -58.94 -44.3 91.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.503 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 27.3 mmt -64.51 -38.33 90.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.22 -48.57 33.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 12.8 mt-30 -66.01 -39.68 90.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.523 ' HB3' HD12 ' A' ' 23' ' ' LEU . 29.5 m -61.2 -37.05 81.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 108.34 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 24' ' ' SER . 5.9 ttpt -66.58 -5.5 11.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -69.47 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.623 1.202 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.483 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -45.75 -45.42 14.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.225 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -97.82 -11.86 22.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 51.37 18.24 0.62 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.068 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.669 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -81.47 167.9 28.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.395 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.927 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.4 Cg_endo -74.95 118.57 5.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' HA ' ' CG2' ' A' ' 30' ' ' VAL . 49.2 p-10 -66.94 -2.16 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.224 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 26' ' ' PRO . 15.8 p -81.78 -40.0 23.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 26' ' ' PRO . 31.3 m -64.25 -36.86 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.191 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.78 ' HA ' HD13 ' A' ' 33' ' ' LEU . 3.0 m -80.26 -32.45 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 27' ' ' ASP . . . -68.79 -17.54 64.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.592 1.182 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -22.47 57.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.78 HD13 ' HA ' ' A' ' 30' ' ' VAL . 8.1 mp -49.94 -50.44 46.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -54.51 -20.54 7.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.433 ' C ' ' CD2' ' A' ' 36' ' ' PHE . 1.4 t-20 -85.99 -71.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CD2' ' C ' ' A' ' 35' ' ' ASN . 2.5 p90 -176.32 69.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.695 ' CZ2' ' CB ' ' A' ' 48' ' ' ALA . 12.0 t-105 -92.13 -3.21 55.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 108.073 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.8 -58.51 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.597 ' CB ' ' CD2' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -68.03 -32.22 72.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.387 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.64 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.9 t0 -68.21 100.95 1.09 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.463 ' C ' ' N ' ' A' ' 43' ' ' MET . 26.2 t80 -101.22 163.11 12.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.861 HG13 ' HA ' ' A' ' 46' ' ' ARG . 92.2 t -40.24 -28.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.463 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -43.73 -23.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.955 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.43 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -107.32 -55.98 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.527 ' OD2' HG21 ' A' ' 29' ' ' VAL . 1.4 t0 -136.72 115.63 12.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.861 ' HA ' HG13 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -77.11 -38.28 52.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.684 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.22 -43.55 21.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.695 ' CB ' ' CZ2' ' A' ' 37' ' ' TRP . . . -55.97 -32.35 63.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.527 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -81.19 -23.3 59.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.656 1.222 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -88.14 -43.95 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.605 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -63.78 -48.64 76.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 48' ' ' ALA . 0.8 OUTLIER -50.33 -47.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -42.34 78.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.637 ' O ' HG22 ' A' ' 57' ' ' THR . 0.5 OUTLIER -57.93 -29.29 65.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.941 HD11 ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -53.28 -33.11 51.82 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.618 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -74.76 -13.82 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.637 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -18.53 -59.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.592 ' O ' HG22 ' A' ' 61' ' ' VAL . 6.3 mttm -112.49 92.48 4.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.361 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.639 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -57.97 -16.16 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.77 -24.11 64.39 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.503 1.127 . . . . 0.0 109.38 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.4 m -80.06 -41.97 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.639 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.63 -45.65 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.8 p-10 -122.99 104.03 36.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -42.09 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.24 0.7 15.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.46 39.33 2.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -53.51 -37.96 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 109.257 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.989 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -166.34 -174.97 3.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 40.4 m170 -146.01 120.37 9.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.52 ' CG ' ' CB ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -45.04 143.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.587 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.71 -45.27 2.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -127.69 75.83 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -64.15 129.67 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 76' ' ' PHE . 3.9 mtpt -61.38 171.13 1.51 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.505 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 70.0 m-20 -71.11 0.81 6.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.21 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.448 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 4.9 t80 -91.42 -40.53 11.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.584 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -63.52 -58.98 5.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.599 ' C ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -81.36 39.59 0.53 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 111.06 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.2 tmtp? -154.76 -53.23 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -65.67 -6.96 12.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.632 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.87 23.74 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.627 ' HB1' ' HG2' ' A' ' 86' ' ' MET . . . -131.59 160.15 36.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.683 ' H ' ' HE3' ' A' ' 86' ' ' MET . 1.8 m-20 -78.89 141.14 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -45.2 -34.46 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.439 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 10.7 t -80.47 -45.68 17.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.683 ' HE3' ' H ' ' A' ' 83' ' ' ASP . 1.8 ttp -54.09 -42.81 69.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -53.26 -47.12 69.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.458 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.5 OUTLIER -75.95 -47.36 25.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 92' ' ' ASP . 20.6 mm100 -44.06 -55.17 4.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.597 1.186 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.18 HD21 ' CE1' ' A' ' 118' ' ' PHE . 1.9 mp -46.16 -45.97 16.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.574 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 7.2 t -52.98 -16.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 89' ' ' GLN . 46.6 t0 -76.44 -69.2 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.678 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.33 -47.03 85.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.67 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -52.26 -24.68 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.218 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.6 m170 -77.02 -28.69 55.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.64 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -92.22 -25.6 21.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 100' ' ' SER . 4.6 m -90.67 -65.07 1.05 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -45.75 -31.6 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.363 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 95' ' ' HIS . 3.0 pttt -75.93 -30.6 58.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.561 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.26 -9.35 36.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -118.13 79.63 14.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.438 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.95 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.645 1.866 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 42.92 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 107' ' ' LYS . 3.4 t-20 -61.57 150.57 35.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 107' ' ' LYS . 3.0 m-20 -49.2 -29.13 5.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 109' ' ' MET . 8.9 m-20 -84.65 28.04 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' ASN . 19.9 pttm -40.4 -29.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 106' ' ' ASP . 1.8 t -51.98 -48.34 64.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.479 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 1.3 ttp -103.01 -4.0 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.485 ' O ' ' HB1' ' A' ' 101' ' ' ALA . 1.0 OUTLIER -89.36 -79.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.324 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.428 ' O ' HG13 ' A' ' 114' ' ' VAL . 7.1 m -48.13 -44.44 32.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.09 -47.51 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 1.3 t0 -39.9 -57.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.468 HG21 ' HB2' ' A' ' 98' ' ' GLU . 1.5 p -76.98 -48.64 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.674 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -45.63 -26.16 0.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.56 ' HG3' HD11 ' A' ' 112' ' ' ILE . 1.8 mmt -103.11 -31.95 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 8.8 t -42.38 -55.24 3.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 1.18 ' CE1' HD21 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -66.28 -34.52 78.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 111.006 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 116' ' ' MET . 6.4 mmtt -57.16 -30.2 64.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.185 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -67.75 -32.91 73.85 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -59.17 -29.19 67.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.899 HD11 ' CE1' ' A' ' 118' ' ' PHE . 3.0 mm -63.7 -39.35 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.597 ' CD2' ' CB ' ' A' ' 39' ' ' ASP . 14.8 t60 -49.29 -20.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.508 ' O ' ' O ' ' A' ' 125' ' ' LEU . 5.0 mttm -97.97 27.0 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.989 HD11 ' CE2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.26 -99.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.66 ' H ' HD13 ' A' ' 125' ' ' LEU . 9.5 t30 -98.23 -31.05 12.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.989 ' CE2' HD11 ' A' ' 125' ' ' LEU . 4.2 p-90 -103.48 134.56 46.64 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.629 1.206 . . . . 0.0 107.988 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 128' ' ' VAL . 9.9 p -93.92 113.87 61.65 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.591 ' HG3' ' CD2' ' A' ' 123' ' ' HIS . 18.2 Cg_endo -75.0 49.33 2.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -41.77 -30.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.441 ' O ' ' CG ' ' A' ' 131' ' ' MET . 0.0 OUTLIER -94.75 108.61 20.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -129.22 119.12 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.86 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -40.51 109.79 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.438 HG12 HD13 ' A' ' 135' ' ' ILE . 2.3 p -116.92 -5.56 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.57 -20.33 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.71 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 81.25 23.76 58.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.559 1.162 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -123.58 173.98 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -75.43 117.78 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.397 1.06 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 140' ' ' ALA . 0.5 OUTLIER 177.4 -49.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.603 ' N ' HD23 ' A' ' 139' ' ' LEU . . . -103.85 162.34 13.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.601 1.188 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.25 90.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.235 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -167.09 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.442 1.759 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -25.96 48.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.741 HD12 ' HB1' ' A' ' 31' ' ' ALA . 6.2 mm -50.63 -40.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -25.21 63.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.62 109.57 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -116.04 138.07 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.898 HD22 ' N ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -72.26 -164.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.898 ' N ' HD22 ' A' ' 8' ' ' LEU . 29.7 t -52.78 -105.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.632 ' O ' ' N ' ' A' ' 12' ' ' PHE . 5.2 m-20 -130.26 -30.2 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.603 ' C ' ' O ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -23.35 -44.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 1.132 ' CD2' HD11 ' A' ' 55' ' ' LEU . 20.3 m-85 -107.82 -62.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CE ' ' A' ' 16' ' ' MET . . . -41.04 -32.21 0.56 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.395 1.06 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -80.2 -51.29 9.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 55' ' ' LEU . . . -60.81 -45.06 95.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.633 ' HE2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -65.36 -35.92 82.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.401 1.063 . . . . 0.0 110.947 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.633 ' N ' ' HE2' ' A' ' 16' ' ' MET . 7.4 t0 -70.87 -49.23 48.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.236 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.459 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.7 mt-30 -68.68 -31.49 70.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.498 ' O ' HD12 ' A' ' 25' ' ' LEU . 2.5 m -65.89 -35.73 81.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.345 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.3 OUTLIER -67.24 -5.39 13.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.507 1.13 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 -68.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -48.47 -42.87 33.94 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.528 ' HB2' HD12 ' A' ' 25' ' ' LEU . 2.2 mt -98.71 -11.73 21.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.63 17.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.948 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.689 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.05 167.42 30.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.779 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.5 Cg_endo -75.05 119.19 5.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.797 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' HB2' ' CG ' ' A' ' 16' ' ' MET . 54.9 p-10 -68.48 0.08 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 26' ' ' PRO . 4.0 p -81.61 -39.88 23.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.933 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 26' ' ' PRO . 14.5 m -64.74 -37.14 79.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.533 HG11 ' CB ' ' A' ' 51' ' ' ALA . 13.4 m -74.96 -32.37 27.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.741 ' HB1' HD12 ' A' ' 4' ' ' ILE . . . -68.78 -19.05 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.536 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 2.0 t0 -69.43 -25.26 64.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.593 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -57.82 -49.06 77.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.392 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -21.13 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.549 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 1.2 m120 -82.54 -72.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 35' ' ' ASN . 0.0 OUTLIER 160.84 41.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.656 ' CE3' ' C ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -92.16 19.01 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 108.061 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.642 ' O ' ' CE2' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -43.44 -58.2 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.484 ' HA ' ' CG ' ' A' ' 123' ' ' HIS . 26.8 p-10 -47.4 -35.32 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.506 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 15.1 t0 -84.41 81.91 8.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.642 ' CE2' ' O ' ' A' ' 38' ' ' LYS . 72.3 m-85 -98.92 -172.69 2.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 46' ' ' ARG . 18.0 m -35.86 -34.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.163 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.3 ptp -40.8 -25.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -120.81 -49.4 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 110.442 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.461 ' OD2' HG21 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -126.46 99.35 5.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.506 ' HA ' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -62.53 -43.68 98.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.671 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.47 -43.39 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.39 64.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.518 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -80.35 -30.81 39.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.049 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.31 -45.48 19.59 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.533 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -56.54 -48.49 77.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -56.47 -38.69 57.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.532 1.145 . . . . 0.0 109.389 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.58 92.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.539 ' O ' HG22 ' A' ' 57' ' ' THR . 0.4 OUTLIER -63.02 -26.73 68.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 1.189 . . . . 0.0 108.294 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.132 HD11 ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -51.95 -34.91 44.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.61 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -68.4 -14.28 62.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.61 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -19.9 -57.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.601 ' O ' HG22 ' A' ' 61' ' ' VAL . 7.5 mmtt -111.79 87.78 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.638 1.211 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.593 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -54.99 -17.74 4.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -67.05 -23.22 65.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.375 1.047 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.8 m -79.72 -42.09 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.593 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.77 -46.25 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -124.4 110.43 28.49 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.396 1.06 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -41.08 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.787 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.45 3.2 17.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 100.64 45.62 1.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.403 ' H ' ' CB ' ' A' ' 63' ' ' ASP . 2.1 t30 -53.0 -35.77 59.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 0.787 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.979 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.13 -173.57 1.8 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 109.39 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.534 ' N ' HD13 ' A' ' 68' ' ' LEU . 18.9 m-70 -143.41 116.68 9.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.605 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.529 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 5.4 t60 -40.92 141.58 0.58 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.557 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.07 -45.33 3.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -128.54 82.77 2.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 0.72 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.49 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.49 130.05 41.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.551 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -61.67 171.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.504 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 4.0 m-20 -71.04 1.6 5.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.551 ' CE2' ' HG2' ' A' ' 74' ' ' LYS . 9.1 m-85 -91.35 -44.06 9.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.657 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -61.43 -58.93 6.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.532 ' C ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -80.21 39.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.465 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 12.9 tttt -154.13 -54.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.61 1.194 . . . . 0.0 109.203 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.455 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -67.61 -6.22 19.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.591 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.74 25.0 0.73 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.145 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.532 ' HB3' ' C ' ' A' ' 78' ' ' MET . . . -131.06 134.34 46.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.93 143.71 52.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -42.77 -34.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.443 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 10.9 t -80.45 -43.48 20.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.503 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 7.8 ttm -52.82 -43.14 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -52.17 -46.99 65.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.443 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.2 OUTLIER -74.73 -43.28 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.235 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.0 mm100 -47.33 -54.55 10.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.752 ' O ' HD13 ' A' ' 93' ' ' ILE . 13.4 mt -46.51 -47.74 19.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.388 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.486 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.0 t -52.87 -18.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 33.1 t0 -74.55 -68.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.83 -46.63 88.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.437 1.086 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.689 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -51.98 -24.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.11 -30.57 58.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -87.7 -24.03 37.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -87.68 -63.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.65 -35.58 4.22 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 2.5 pttt -71.61 -31.31 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.32 -6.84 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.996 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.68 84.7 12.92 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.582 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.5 Cg_endo -74.94 175.92 10.58 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.93 46.38 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.42 143.09 58.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -56.18 -19.53 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.246 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.2 OUTLIER -81.56 31.27 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -41.67 -25.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.398 1.061 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 106' ' ' ASP . 32.3 t -61.5 -51.31 69.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 3.1 ptm -98.51 -9.02 25.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.582 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.49 -69.15 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.415 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 7.1 m -49.14 -43.36 41.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.729 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.37 -47.38 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.422 1.076 . . . . 0.0 109.212 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -41.75 -53.19 3.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.381 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.491 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -74.84 -49.13 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.12 -22.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.582 ' HG3' ' CD1' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -103.46 -36.86 7.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 3.5 t -40.23 -45.94 2.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.414 1.072 . . . . 0.0 108.254 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.1 OUTLIER -66.99 -50.92 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -30.19 70.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.61 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -59.15 -28.58 66.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -60.37 -29.78 69.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.663 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.7 mm -75.94 -38.79 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.596 ' CE1' ' HG3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -48.3 -18.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.663 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.471 ' N ' ' C ' ' A' ' 122' ' ' ILE . 39.5 mttt -95.95 25.64 4.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.753 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -44.12 -94.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.644 ' H ' HD13 ' A' ' 125' ' ' LEU . 10.4 t30 -96.14 -22.03 17.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.606 ' CD1' ' N ' ' A' ' 127' ' ' TRP . 0.0 OUTLIER -90.48 138.7 31.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 30.8 m -121.28 117.06 30.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.596 ' HG3' ' CE1' ' A' ' 123' ' ' HIS . 18.1 Cg_endo -75.04 51.48 2.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 129' ' ' PRO . 2.7 t30 -39.06 -31.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.438 ' N ' ' C ' ' A' ' 129' ' ' PRO . 6.3 mtt -104.38 100.39 10.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.78 114.3 15.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.837 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -63.05 112.02 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.541 HG12 HD13 ' A' ' 135' ' ' ILE . 6.1 p -116.07 -11.8 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.541 HD13 HG12 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -106.39 -20.33 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.796 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 79.88 30.26 43.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -121.14 168.71 11.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 0.743 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 138' ' ' VAL . 34.1 m -65.85 106.62 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 tt -176.14 -45.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 133' ' ' LEU . . . -106.72 164.84 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.98 91.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 142' ' ' VAL . 11.0 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 -167.05 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.558 1.82 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.571 ' OE2' ' CE1' ' A' ' 34' ' ' TYR . 19.9 mm-40 -55.47 -25.73 38.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.248 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 5.3 mm -52.08 -37.64 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.55 -14.92 19.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.9 104.59 12.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 7.0 p-10 -121.4 151.11 40.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.85 HD22 ' HB2' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -59.77 176.29 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 m -49.98 -91.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' PHE . 7.1 m-20 -118.09 -36.7 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.85 ' HB2' HD22 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -35.14 -34.33 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.718 ' CZ ' HD21 ' A' ' 55' ' ' LEU . 15.4 m-85 -115.17 -67.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.423 ' HA3' ' ND2' ' A' ' 7' ' ' ASN . . . -43.13 -34.11 2.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 2.0 tmmt? -80.2 -51.14 9.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -58.5 -43.19 88.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.535 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 15.4 mmt -68.73 -39.57 80.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -69.05 -48.61 62.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 14.8 mt-30 -66.04 -36.06 82.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.531 ' O ' HD12 ' A' ' 25' ' ' LEU . 10.7 m -62.48 -36.29 82.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 108.33 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -66.98 -6.9 18.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -68.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.364 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -48.48 -42.48 32.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.538 ' HB2' HD12 ' A' ' 25' ' ' LEU . 4.2 mt -98.35 -12.12 21.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.371 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 51.27 16.92 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.726 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.53 166.13 38.1 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.745 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -75.03 119.54 5.68 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.519 1.8 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.545 ' HA ' HG22 ' A' ' 30' ' ' VAL . 46.7 p-10 -68.08 -0.26 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 26' ' ' PRO . 22.6 p -82.03 -41.2 21.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 26' ' ' PRO . 11.4 m -65.35 -36.72 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.592 HG13 HD21 ' A' ' 25' ' ' LEU . 34.2 m -76.42 -31.83 21.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.488 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.44 -16.14 63.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.416 ' HB3' ' CB ' ' A' ' 37' ' ' TRP . 23.5 t0 -79.29 -26.59 42.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.573 ' HG ' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -50.54 -50.58 52.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.571 ' CE1' ' OE2' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -61.44 -21.51 64.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.468 ' OD1' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -84.85 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.211 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.4 p90 174.11 44.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.589 ' O ' ' CD2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.4 0.83 57.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -44.79 -55.19 5.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.478 ' CA ' ' HB2' ' A' ' 123' ' ' HIS . 7.9 t70 -56.13 -35.47 67.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.557 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 11.9 t0 -71.48 83.21 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.513 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 69.8 t80 -82.09 173.91 11.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.881 HG13 ' HB2' ' A' ' 46' ' ' ARG . 39.4 t -39.59 -30.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.448 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.7 OUTLIER -41.38 -26.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.438 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -114.8 -54.77 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.543 ' OD2' HG21 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -131.82 102.89 6.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.881 ' HB2' HG13 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -65.53 -42.81 91.56 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.571 1.169 . . . . 0.0 110.256 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -48.21 -43.33 31.92 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.591 1.182 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.513 ' HB1' ' CE2' ' A' ' 37' ' ' TRP . . . -56.54 -28.65 60.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.503 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -82.4 -27.54 43.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.105 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.55 -46.54 9.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.577 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -54.47 -47.96 72.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.562 HD13 HD12 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -54.19 -48.58 66.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.4 ' N ' HG23 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -58.44 -42.36 87.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.393 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -58.38 -24.85 61.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.718 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -52.48 -34.22 48.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.621 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.4 -12.82 60.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -17.68 -60.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.724 ' O ' HG22 ' A' ' 61' ' ' VAL . 9.0 mmtm -113.27 103.35 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.484 HD11 ' HB1' ' A' ' 56' ' ' ALA . 1.2 mp -71.43 -19.83 62.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.28 -34.89 79.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 58' ' ' LYS . 31.2 m -84.37 -38.43 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.75 -44.85 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.46 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -129.72 107.68 17.03 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.447 1.761 . . . . 0.0 111.046 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -110.56 4.27 20.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 98.96 47.25 1.93 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -52.04 -37.65 54.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.021 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.07 -174.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.536 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 17.0 m-70 -146.39 116.16 7.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.593 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -39.72 141.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.63 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.48 -44.95 2.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -130.32 85.19 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -64.58 130.21 42.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 171.6 1.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.514 1.134 . . . . 0.0 109.204 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.536 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 2.3 m-20 -70.8 0.59 6.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -87.1 -46.31 9.9 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -65.07 -58.67 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.536 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -76.92 42.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.486 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 6.7 tptt -152.99 -55.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.411 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -69.3 -5.72 24.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.627 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -161.16 46.7 0.38 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.765 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.26 138.32 49.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -88.05 146.96 25.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -43.51 -32.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.7 t -77.87 -44.58 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.765 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -55.91 -23.96 34.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -58.09 -57.04 14.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.66 -43.31 10.82 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 25.3 mm100 -41.3 -61.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.787 HD21 ' CD1' ' A' ' 118' ' ' PHE . 11.1 mp -48.75 -45.34 39.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.594 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -58.1 -20.49 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 31.9 t0 -70.58 -70.03 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.715 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.0 -46.54 93.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.247 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.546 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mm -53.5 -26.46 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.594 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.7 m170 -76.49 -31.47 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.406 ' CA ' ' HG2' ' A' ' 99' ' ' LYS . . . -90.03 -24.65 29.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.606 1.191 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 100' ' ' SER . 12.5 m -89.54 -64.67 1.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -45.49 -32.44 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 110.272 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 95' ' ' HIS . 10.5 ptpt -75.36 -31.06 60.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.2 -6.06 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -114.47 84.3 9.58 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.573 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -74.99 175.92 10.6 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.09 48.29 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.472 ' CB ' ' OD1' ' A' ' 106' ' ' ASP . 78.6 m-20 -62.65 150.83 39.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 107' ' ' LYS . 76.1 m-20 -57.04 -28.98 63.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.388 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 109' ' ' MET . 33.4 p-10 -81.64 32.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.167 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.496 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 8.3 pttt -41.5 -26.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 106' ' ' ASP . 41.9 t -63.2 -52.2 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.49 ' C ' HG22 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -90.51 -10.0 45.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.573 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -89.03 -66.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.598 1.186 . . . . 0.0 109.231 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.722 ' O ' ' N ' ' A' ' 115' ' ' ALA . 9.6 m -43.19 -46.6 6.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -47.6 -46.88 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.373 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 1.3 t70 -42.08 -58.56 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.539 ' HA ' ' HB2' ' A' ' 117' ' ' CYS . 0.9 OUTLIER -84.44 -49.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.722 ' N ' ' O ' ' A' ' 111' ' ' THR . . . -47.89 -24.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 112' ' ' ILE . 1.1 ttm -103.08 -27.6 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.539 ' HB2' ' HA ' ' A' ' 114' ' ' VAL . 11.0 t -40.2 -53.62 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 108.359 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.787 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -67.12 -44.09 80.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -58.12 -29.52 65.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.357 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.1 OUTLIER -65.42 -26.83 68.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -53.44 -34.33 57.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.762 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.2 mm -70.5 -37.27 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.478 ' HB2' ' CA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -50.03 -15.5 0.21 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.639 1.212 . . . . 0.0 109.605 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.49 ' CG ' ' HG3' ' A' ' 129' ' ' PRO . 20.5 mttt -96.35 25.31 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.781 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.16 -93.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.57 ' H ' HD13 ' A' ' 125' ' ' LEU . 3.3 t30 -109.31 -4.06 16.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.557 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.9 OUTLIER -90.6 155.57 18.76 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 128' ' ' VAL . 7.3 m -100.1 117.41 63.29 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.49 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.4 Cg_endo -75.03 51.27 2.75 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.553 1.817 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.9 t30 -39.24 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.442 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -108.48 100.97 10.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.944 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.461 ' C ' ' HB1' ' A' ' 140' ' ' ALA . 13.3 t0 -130.32 125.45 34.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.849 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -55.1 130.02 40.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.407 ' HB ' HD13 ' A' ' 135' ' ' ILE . 50.4 t -114.14 -58.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.467 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.41 -11.05 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.19 27.41 36.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.064 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.89 175.6 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.741 . . . . 0.0 110.355 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.415 ' H ' HG12 ' A' ' 138' ' ' VAL . 1.4 p -64.07 100.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 8.6 tt -174.53 -63.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.255 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 133' ' ' LEU . . . -95.5 164.31 12.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.226 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.85 87.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 140' ' ' ALA . 1.9 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 109.365 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -163.91 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.528 1.804 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -52.91 -25.2 11.03 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 4' ' ' ILE . 3.4 mm -60.15 -38.15 75.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.645 1.215 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.91 -0.05 49.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.503 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 2.6 tttt -117.82 106.45 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 4.2 p-10 -118.6 140.04 50.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.635 HD22 ' HB2' ' A' ' 11' ' ' ASN . 1.1 tt -59.44 177.79 0.18 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.497 ' N ' HD23 ' A' ' 8' ' ' LEU . 58.2 m -48.63 -95.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -116.98 -35.74 4.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.635 ' HB2' HD22 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -35.08 -36.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.178 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 10' ' ' ASN . 21.7 m-85 -114.34 -66.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.73 -33.64 1.1 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 14.8 ttpt -79.84 -53.35 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.8 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.849 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -60.19 -42.81 95.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.617 ' HG3' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -62.06 -42.67 99.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.088 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.97 -46.8 70.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 13.1 mt-30 -67.15 -40.18 86.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.497 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.5 m -60.87 -38.44 85.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 108.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.4 OUTLIER -66.85 -5.22 11.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.072 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.16 -69.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.488 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -45.49 -45.53 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 50' ' ' CYS . 0.2 OUTLIER -98.37 -11.44 22.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 51.32 18.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.676 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.0 166.74 35.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.715 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.2 Cg_endo -74.98 119.86 5.83 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' HA ' HG22 ' A' ' 30' ' ' VAL . 45.1 p-10 -67.93 0.3 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 26' ' ' PRO . 14.6 p -81.51 -42.05 20.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 26' ' ' PRO . 11.5 m -65.23 -36.99 79.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.646 HG11 ' CB ' ' A' ' 51' ' ' ALA . 16.8 m -74.95 -31.91 26.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -67.91 -16.73 64.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.071 . . . . 0.0 109.24 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -66.5 -37.48 85.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 4.2 tp -47.78 -50.73 24.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.503 ' CE2' ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -52.07 -22.8 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.948 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.529 ' C ' ' CG ' ' A' ' 36' ' ' PHE . 1.1 t30 -85.74 -70.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.529 ' CG ' ' C ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER 162.57 44.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 111.082 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.668 ' CE3' ' C ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.52 15.77 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 108.09 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.691 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 7.9 ptmt -45.27 -59.74 2.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.502 ' HA ' ' ND1' ' A' ' 123' ' ' HIS . 8.2 p-10 -47.16 -35.29 7.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.611 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 8.6 t70 -72.6 82.58 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.583 1.177 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.55 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 47.7 t80 -80.49 172.39 13.82 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.459 1.099 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.829 HG22 ' HA ' ' A' ' 46' ' ' ARG . 3.2 t -38.68 -30.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -43.08 -23.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.61 -54.54 2.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.403 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.408 ' OD2' HG21 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -131.32 104.5 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.829 ' HA ' HG22 ' A' ' 42' ' ' VAL . 1.2 ttm180 -67.18 -43.27 82.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.649 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.22 -42.82 20.91 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' HA ' HG12 ' A' ' 30' ' ' VAL . . . -57.56 -33.23 67.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -78.89 -31.69 42.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.529 ' HB3' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -79.97 -45.22 18.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.646 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -56.61 -50.03 73.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -59.44 -41.34 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.06 -41.5 98.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.966 ' O ' HG23 ' A' ' 57' ' ' THR . 0.1 OUTLIER -68.82 -27.98 66.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 108.373 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.858 ' O ' HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -41.29 -28.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.646 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -63.16 -11.16 18.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.966 HG23 ' O ' ' A' ' 54' ' ' CYS . 23.3 p -12.46 -64.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.605 1.191 . . . . 0.0 110.46 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 1.101 ' O ' HG22 ' A' ' 61' ' ' VAL . 2.6 tptt -117.78 94.96 4.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.7 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -54.69 -15.53 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.604 1.19 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 58' ' ' LYS . 17.4 t0 -71.06 -24.83 62.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.101 HG22 ' O ' ' A' ' 58' ' ' LYS . 17.7 m -80.03 -37.39 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.7 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -84.7 -45.88 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.5 p30 -123.05 103.61 36.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -42.71 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.18 2.71 16.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.53 39.71 2.52 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.419 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 0.5 OUTLIER -52.38 -42.32 63.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 0.713 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.986 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -165.63 -176.47 3.93 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.155 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.521 ' N ' HD13 ' A' ' 68' ' ' LEU . 7.2 m-70 -145.97 115.91 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -41.97 141.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.642 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.11 -45.4 3.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -129.43 81.29 2.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.53 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.42 130.54 43.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.223 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -61.42 171.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.524 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 5.9 m-20 -70.25 0.48 6.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 74' ' ' LYS . 44.9 m-85 -90.28 -45.42 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.602 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -61.74 -58.85 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.524 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -79.16 40.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.069 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.474 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 1.4 tttm -154.43 -56.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.455 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -66.5 -6.67 15.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.573 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -157.85 36.8 0.54 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.561 1.163 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.32 131.07 45.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.385 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.89 141.53 49.52 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.391 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.3 -32.99 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 t -77.45 -44.69 28.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.407 1.067 . . . . 0.0 110.418 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.727 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.78 -27.31 59.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.445 1.09 . . . . 0.0 111.034 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -61.24 -47.28 86.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.692 ' NE2' ' C ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -87.69 -51.71 5.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.1 mm100 -38.93 -56.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.801 HD21 ' CD1' ' A' ' 118' ' ' PHE . 8.5 mp -46.85 -46.03 20.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.588 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 9.0 t -52.36 -17.71 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 37.8 t0 -75.57 -69.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.674 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -67.48 -46.79 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.661 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -52.09 -24.11 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.588 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.19 -30.85 58.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.635 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -88.29 -24.07 35.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.21 -63.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -45.21 -33.31 2.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.423 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 11.8 ptpt -74.01 -31.66 63.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.07 -7.55 39.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.561 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -115.76 84.99 13.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.566 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.96 176.05 10.41 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.59 1.837 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -74.93 45.74 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.661 1.874 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.457 ' N ' ' HD2' ' A' ' 110' ' ' LYS . 2.0 t-20 -62.46 140.5 58.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.643 1.214 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' A' ' 107' ' ' LYS . 3.7 m-20 -57.39 -17.61 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.5 OUTLIER -79.28 34.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 109.254 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 105' ' ' ASP . 2.6 mttp -40.66 -26.03 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 106' ' ' ASP . 12.9 t -60.47 -51.27 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -104.61 -4.47 22.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.566 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.57 -69.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.097 . . . . 0.0 109.244 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.3 m -52.16 -42.65 63.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -46.64 -47.51 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.82 -53.39 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -79.11 -49.12 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.366 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.66 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -46.88 -23.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.474 ' CG ' HD11 ' A' ' 112' ' ' ILE . 1.7 mmt -105.02 -36.32 7.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.2 t -42.06 -53.73 3.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 108.384 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.801 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -65.58 -42.45 91.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 110.926 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.574 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.7 OUTLIER -60.34 -29.13 68.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.536 ' HA ' ' CE1' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -58.81 -30.22 67.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -60.9 -29.29 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.227 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.712 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.2 mm -76.78 -40.78 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.423 1.077 . . . . 0.0 109.379 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.691 ' CD2' ' HB2' ' A' ' 38' ' ' LYS . 2.6 m170 -49.55 -17.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.605 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.485 ' CD ' ' HG3' ' A' ' 129' ' ' PRO . 0.9 OUTLIER -96.53 26.27 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.906 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -44.33 -94.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.619 ' H ' HD13 ' A' ' 125' ' ' LEU . 3.0 t30 -109.33 -3.52 17.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 109.32 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.906 ' CD2' HD11 ' A' ' 125' ' ' LEU . 1.2 m0 -89.04 152.19 21.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.1 p -95.89 116.95 66.57 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.339 1.024 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.485 ' HG3' ' CD ' ' A' ' 124' ' ' LYS . 18.3 Cg_endo -74.94 50.46 2.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' PRO . 1.5 p30 -40.01 -28.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.47 ' N ' ' C ' ' A' ' 129' ' ' PRO . 12.6 mmt -94.43 103.35 15.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 134' ' ' VAL . 9.0 t0 -127.5 126.95 43.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.513 HD13 ' H ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -60.97 81.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 132' ' ' ASP . 8.6 p -116.21 3.8 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.067 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.505 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.85 -20.55 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.513 ' H ' HD13 ' A' ' 133' ' ' LEU . . . 77.04 24.16 67.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.437 1.086 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.436 ' O ' HD21 ' A' ' 133' ' ' LEU . 0.2 OUTLIER -127.67 149.29 50.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 110.252 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 138' ' ' VAL . 14.6 m -65.01 108.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -174.91 -61.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.76 165.15 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.462 ' HG3' ' CE ' ' A' ' 43' ' ' MET . 3.0 mt-10 -69.6 88.32 0.5 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.58 1.175 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.42 HG22 ' HG ' ' A' ' 133' ' ' LEU . 65.0 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.506 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 1' ' ' SER . 18.1 Cg_endo -75.0 -163.94 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.42 1.747 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' LYS . 2.2 tp10 -53.94 -25.5 20.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.222 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.803 HD12 ' HB1' ' A' ' 31' ' ' ALA . 4.5 mm -55.96 -36.67 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -29.19 68.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 111.01 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -109.45 106.44 16.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.9 p-10 -118.33 147.81 43.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.223 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 11' ' ' ASN . 0.4 OUTLIER -60.04 -173.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.478 ' H ' HD23 ' A' ' 8' ' ' LEU . 15.2 t -59.8 -91.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.941 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' PHE . 74.7 m-20 -119.59 -38.17 3.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.791 ' HB3' HD22 ' A' ' 8' ' ' LEU . 1.7 t30 -34.36 -35.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.76 ' CD1' HD11 ' A' ' 55' ' ' LEU . 5.1 m-85 -114.73 -68.62 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' ' CE ' ' A' ' 16' ' ' MET . . . -44.26 -37.17 4.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 4.8 ttpt -81.19 -45.47 16.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.229 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.722 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -60.63 -46.24 91.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.681 ' HE2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -67.53 -36.65 81.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.681 ' N ' ' HE2' ' A' ' 16' ' ' MET . 8.3 t70 -71.24 -48.77 49.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.4 mt-30 -67.39 -32.2 72.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.582 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.3 m -64.12 -39.64 94.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 108.363 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 24' ' ' SER . 4.3 ttpt -65.16 -5.67 7.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 0.0 109.313 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.05 -69.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 1.8 pt-20 -47.65 -45.78 28.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 51' ' ' ALA . 63.9 mt -99.02 -10.6 22.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.576 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.2 m 50.52 18.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.661 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -81.9 168.93 20.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.784 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.2 Cg_endo -74.99 120.98 6.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.792 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.472 ' HB2' ' CG ' ' A' ' 16' ' ' MET . 42.4 p-10 -67.86 0.54 3.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 26' ' ' PRO . 30.3 p -81.95 -39.79 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.784 HG22 ' O ' ' A' ' 26' ' ' PRO . 15.8 m -64.85 -37.86 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.474 ' CG1' ' HG3' ' A' ' 16' ' ' MET . 9.1 p -73.83 -31.76 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.803 ' HB1' HD12 ' A' ' 4' ' ' ILE . . . -67.31 -23.67 65.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -62.64 -29.52 70.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.61 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 17.0 tp -51.45 -49.27 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 31' ' ' ALA . 20.0 m-85 -65.98 -23.43 66.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 1.5 t30 -84.37 -70.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 168.07 69.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 111.025 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.611 ' CZ3' ' HB1' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -91.56 8.26 37.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 1.176 . . . . 0.0 108.039 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -43.7 -58.23 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.403 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.565 ' HB2' ' CE1' ' A' ' 123' ' ' HIS . 0.3 OUTLIER -67.4 -33.48 75.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.187 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -69.64 93.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.358 1.036 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.52 ' HH ' ' CG ' ' A' ' 113' ' ' ASP . 11.8 t80 -98.4 156.88 16.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.819 HG13 ' CB ' ' A' ' 46' ' ' ARG . 33.3 t -39.94 -29.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -39.9 -26.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.956 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -109.8 -52.19 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.401 ' OD1' HD23 ' A' ' 47' ' ' LEU . 11.5 t70 -134.35 105.62 6.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.819 ' CB ' HG13 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -71.73 -33.36 68.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.821 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -47.72 -44.93 28.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.611 ' HB1' ' CZ3' ' A' ' 37' ' ' TRP . . . -56.83 -31.63 64.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.518 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -83.38 -30.09 31.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.567 1.167 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.81 -45.05 21.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HA ' HD12 ' A' ' 23' ' ' LEU . . . -53.43 -46.9 69.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -58.33 -39.21 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.361 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.52 -46.51 80.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.59 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -63.19 -30.21 71.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 108.317 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.76 HD11 ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -53.95 -33.38 56.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.616 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -72.5 -13.28 61.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.208 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.616 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -18.97 -59.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.437 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.659 ' O ' HG22 ' A' ' 61' ' ' VAL . 53.9 mmtt -113.18 93.13 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.646 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -57.95 -15.98 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -23.28 62.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.5 m -81.5 -42.04 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.646 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.26 -45.54 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.485 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -124.12 109.93 29.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -41.38 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.02 -0.55 16.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.382 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 104.73 46.12 1.32 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -53.57 -36.28 61.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.488 0.758 . . . . 0.0 109.355 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.002 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -167.27 -173.98 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.595 1.184 . . . . 0.0 109.285 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.491 ' CD2' HD23 ' A' ' 59' ' ' LEU . 26.8 m80 -144.9 116.68 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -40.43 140.18 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.649 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.03 -45.8 3.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -122.7 73.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 0.8 . . . . 0.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.647 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -62.09 130.8 47.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' O ' ' SD ' ' A' ' 78' ' ' MET . 6.5 mmtt -60.38 171.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.484 ' O ' ' CE ' ' A' ' 78' ' ' MET . 22.7 m-20 -71.0 0.88 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 74' ' ' LYS . 6.0 m-85 -101.16 -34.91 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.681 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -53.73 -76.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.73 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.16 42.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.8 OUTLIER -141.24 -50.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -5.27 22.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -144.64 23.09 2.0 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.431 1.082 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.505 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -132.37 160.26 36.84 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.597 0.822 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -85.55 143.38 28.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -39.86 -30.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.503 HG22 ' CG ' ' A' ' 83' ' ' ASP . 1.6 t -66.5 -40.6 89.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.46 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.564 ' N ' ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -46.82 -37.63 8.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -48.78 -48.93 40.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.35 -45.92 7.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' A' ' 92' ' ' ASP . 2.3 mt-30 -43.56 -60.67 1.66 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 93' ' ' ILE . 9.4 mp -45.28 -45.18 11.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.539 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 3.2 t -53.14 -16.02 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.369 1.043 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' GLN . 1.1 m-20 -77.9 -69.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.745 HG21 ' OE2' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -65.83 -47.16 86.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.661 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -52.23 -24.83 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.229 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.2 m170 -76.47 -31.78 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.5 -24.12 31.88 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.067 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -88.82 -63.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.6 tt0 -45.31 -33.34 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.25 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.4 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 21.4 pttt -74.77 -31.54 61.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.0 -6.0 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.565 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -114.65 83.92 9.5 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.597 1.186 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.55 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.1 Cg_endo -75.09 176.5 9.85 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.414 1.744 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.439 ' HA ' ' NZ ' ' A' ' 110' ' ' LYS . 18.5 Cg_endo -74.92 46.7 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.811 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.33 140.96 58.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.634 1.209 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 107' ' ' LYS . 52.5 m-20 -57.03 -17.78 11.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.2 m-20 -80.47 33.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.486 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -40.18 -26.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.498 ' N ' ' C ' ' A' ' 106' ' ' ASP . 12.9 t -60.31 -51.35 69.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 108.257 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.0 OUTLIER -103.6 -4.65 23.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.2 OUTLIER -88.76 -72.35 0.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.6 m -52.01 -44.23 64.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.456 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.729 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -47.77 -43.53 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.52 ' CG ' ' HH ' ' A' ' 41' ' ' TYR . 2.1 t70 -43.61 -54.18 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.565 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -72.58 -49.81 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -50.37 -21.9 1.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.614 ' SD ' HD11 ' A' ' 112' ' ' ILE . 1.9 tpt -101.21 -36.51 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.2 t -43.86 -48.58 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.307 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.643 ' CD1' HD21 ' A' ' 90' ' ' LEU . 1.1 t80 -65.78 -38.86 90.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -29.63 70.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 123' ' ' HIS . 0.1 OUTLIER -62.22 -29.65 70.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.745 ' OE2' HG21 ' A' ' 93' ' ' ILE . 27.1 mm-40 -60.81 -27.53 68.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.692 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.9 mm -73.34 -38.04 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 39' ' ' ASP . 0.8 OUTLIER -46.41 -18.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.645 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.477 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.3 OUTLIER -93.83 25.11 3.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.586 1.178 . . . . 0.0 109.37 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.731 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -48.88 -96.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.39 1.057 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.682 ' H ' HD13 ' A' ' 125' ' ' LEU . 28.0 m-80 -98.63 -25.23 14.79 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.387 1.054 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.623 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -90.43 139.04 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.162 . . . . 0.0 107.983 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.18 117.58 68.57 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.522 ' HB3' ' CD2' ' A' ' 123' ' ' HIS . 18.5 Cg_endo -74.91 51.38 2.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' PRO . 42.8 t30 -39.04 -30.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.443 ' N ' ' C ' ' A' ' 129' ' ' PRO . 1.1 ttt -96.21 100.78 12.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.553 ' O ' ' HB1' ' A' ' 140' ' ' ALA . 4.4 m-20 -130.15 118.68 21.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.88 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -175.95 106.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.411 ' CG1' HD13 ' A' ' 135' ' ' ILE . 13.8 p -116.06 -14.68 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.485 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.8 -19.51 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.424 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 70.1 33.21 69.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.409 1.068 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -130.27 173.42 10.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 0.8 . . . . 0.0 110.319 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 138' ' ' VAL . 14.6 m -73.25 99.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.1 tp -178.9 -41.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.553 ' HB1' ' O ' ' A' ' 132' ' ' ASP . . . -90.81 166.19 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 132' ' ' ASP . 0.3 OUTLIER -73.6 84.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' GLU . 58.6 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -164.59 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.442 1.759 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.513 ' HB3' ' CG ' ' A' ' 34' ' ' TYR . 2.3 mm-40 -54.91 -25.13 27.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.903 HG23 ' HB1' ' A' ' 31' ' ' ALA . 4.6 mm -56.37 -38.53 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.378 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -0.09 53.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.55 105.48 10.87 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.082 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 4.9 p-10 -119.98 143.44 48.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.841 HD22 ' HB2' ' A' ' 11' ' ' ASN . 1.7 tt -61.65 177.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.554 ' N ' HD23 ' A' ' 8' ' ' LEU . 45.3 m -48.72 -90.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -117.45 -36.88 3.61 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.841 ' HB2' HD22 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -35.41 -34.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.519 ' HA ' HD21 ' A' ' 55' ' ' LEU . 12.1 m-85 -113.39 -69.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.86 -32.89 1.02 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 3.6 tmmm? -80.14 -52.67 7.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.831 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -60.29 -44.42 95.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.536 ' CE ' HG21 ' A' ' 30' ' ' VAL . 23.1 mmt -63.64 -39.28 93.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -74.54 -37.58 62.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 15.1 mt-30 -72.68 -40.91 65.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.186 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.553 ' O ' HD12 ' A' ' 25' ' ' LEU . 87.8 m -62.52 -37.09 84.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.343 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -66.85 -6.75 17.55 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.609 1.193 . . . . 0.0 109.261 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.34 -69.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 1.9 pt-20 -47.57 -43.66 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.685 HD13 ' HB3' ' A' ' 50' ' ' CYS . 24.8 mt -98.7 -11.82 21.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.37 1.044 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.536 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER 51.77 17.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.715 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.53 165.87 39.62 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.647 1.217 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.848 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.5 Cg_endo -75.0 120.72 6.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.398 1.736 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' CG ' ' HD2' ' A' ' 20' ' ' LYS . 32.2 p-10 -68.48 0.54 3.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.434 ' H ' ' C ' ' A' ' 26' ' ' PRO . 22.1 p -82.4 -40.1 21.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 26' ' ' PRO . 20.0 m -62.68 -37.94 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.536 HG21 ' CE ' ' A' ' 16' ' ' MET . 8.4 p -74.45 -30.27 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.903 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -66.76 -29.84 69.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -59.92 -23.75 63.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.647 HD23 ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -59.06 -51.04 71.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.513 ' CG ' ' HB3' ' A' ' 3' ' ' GLU . 0.3 OUTLIER -51.7 -24.62 5.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.498 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 2.4 m-20 -85.71 -72.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.498 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 9.8 p90 176.64 59.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.659 ' CE3' ' C ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.42 19.17 6.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -55.56 -55.71 28.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' CA ' ' HB2' ' A' ' 123' ' ' HIS . 23.4 t0 -64.93 -29.13 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -69.35 82.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.857 ' CE1' HG22 ' A' ' 42' ' ' VAL . 12.0 t80 -78.71 155.01 29.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.857 HG22 ' CE1' ' A' ' 41' ' ' TYR . 27.0 m -40.05 -30.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.451 ' N ' ' C ' ' A' ' 41' ' ' TYR . 0.9 OUTLIER -41.79 -25.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.905 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -111.24 -52.34 2.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.079 . . . . 0.0 110.34 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.6 91.15 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.947 ' HG3' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.84 -33.52 75.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.947 HD13 ' HG3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -50.31 -43.23 53.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.575 1.172 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.62 ' HB1' ' CD1' ' A' ' 37' ' ' TRP . . . -56.86 -32.71 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' HG13 ' A' ' 112' ' ' ILE . . . -83.37 -28.99 34.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 111.066 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.685 ' HB3' HD13 ' A' ' 23' ' ' LEU . 1.2 m -79.53 -45.62 18.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.543 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . . . -53.98 -48.2 70.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.566 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -65.25 -34.51 71.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -49.01 76.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' THR . 0.4 OUTLIER -67.13 -18.84 65.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.331 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.831 HD22 ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -52.47 -36.34 54.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.647 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.98 -12.38 60.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -14.26 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.666 ' O ' HG22 ' A' ' 61' ' ' VAL . 6.4 tptt -113.2 95.98 5.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 70' ' ' HIS . 0.8 OUTLIER -61.65 -16.63 50.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.373 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -68.68 -22.11 64.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.4 m -83.0 -40.66 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.708 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -80.9 -44.44 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 63' ' ' ASP . 4.1 p30 -121.55 103.71 40.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -43.05 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.404 1.739 . . . . 0.0 110.98 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -112.44 1.86 16.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.76 38.89 2.28 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.438 1.086 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.41 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 56.6 t30 -57.05 -33.95 67.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.934 HD22 ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -162.87 -178.02 5.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.934 ' N ' HD22 ' A' ' 68' ' ' LEU . 8.8 m-70 -151.97 120.53 6.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.584 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.779 ' HB2' HD11 ' A' ' 59' ' ' LEU . 44.3 t60 -47.29 139.05 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.73 -44.73 2.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -125.85 82.68 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.35 130.62 44.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.394 1.059 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 170.67 1.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.535 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 5.8 m-20 -70.73 -2.91 16.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -89.16 -46.74 8.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 111.075 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.556 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -62.79 -58.2 8.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.535 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -78.3 41.22 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 111.011 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.498 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -154.06 -52.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.556 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -68.61 -5.95 22.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.68 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -156.89 29.27 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.68 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.6 137.8 48.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.156 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.94 142.27 43.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 109.234 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -46.08 -33.28 3.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.4 1.062 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.2 t -77.23 -43.38 33.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.68 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -55.69 -25.13 38.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -62.79 -51.37 67.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.383 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.441 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -81.67 -47.78 12.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.615 1.197 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.9 mm100 -42.99 -61.23 1.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.919 HD21 ' CD1' ' A' ' 118' ' ' PHE . 10.3 mp -48.41 -45.56 36.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.1 t -52.92 -19.52 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 7.8 m-20 -73.33 -68.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.9 -47.2 83.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 109.211 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.665 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -51.95 -25.08 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.368 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 0.7 OUTLIER -76.06 -31.38 58.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.588 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' C ' HG21 ' A' ' 142' ' ' VAL . . . -88.31 -23.79 36.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -87.95 -63.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.66 -33.74 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.355 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.421 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 0.0 OUTLIER -73.81 -31.06 63.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.59 -8.48 34.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.032 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -117.3 80.42 12.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -74.88 173.87 13.72 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.502 1.791 . . . . 0.0 111.065 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 43.23 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.559 1.82 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' A' ' 102' ' ' PRO . 10.4 t-20 -61.13 150.11 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 107' ' ' LYS . 6.3 m-20 -55.12 -21.88 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' MET . 4.9 m-20 -83.84 29.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 105' ' ' ASP . 17.6 mtmt -40.8 -29.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 106' ' ' ASP . 4.7 t -55.17 -49.43 71.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 108.284 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -102.24 -4.51 25.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -90.2 -79.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.0 m -47.0 -44.36 20.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.749 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.2 -45.0 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.228 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 1.3 t70 -44.99 -45.83 10.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -74.7 -54.29 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.87 -20.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.658 ' CE ' ' CZ2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -103.52 -35.72 8.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 2.4 t -43.57 -53.92 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.354 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.919 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -65.97 -36.64 83.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -30.71 70.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.593 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.1 OUTLIER -63.99 -33.77 76.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 7.5 mm-40 -58.94 -30.07 67.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.625 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.8 mm -81.64 -36.42 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -47.23 -20.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.551 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -96.51 27.13 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.229 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.794 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -43.8 -95.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.626 ' H ' HD13 ' A' ' 125' ' ' LEU . 3.0 t30 -99.02 -2.17 37.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.767 ' CD2' HD11 ' A' ' 125' ' ' LEU . 2.1 m0 -88.99 156.46 18.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 6.8 m -85.21 118.95 71.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.38 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.427 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.5 Cg_endo -75.0 50.34 2.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -43.46 -27.02 0.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.427 ' N ' ' C ' ' A' ' 129' ' ' PRO . 2.1 ttm -94.2 100.67 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.33 125.01 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.226 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -45.58 113.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 135' ' ' ILE . 4.9 p -115.82 -13.36 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.563 HD13 HG12 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -106.35 -21.06 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.773 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 69.11 31.52 72.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 111.05 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.6 174.75 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 0.815 . . . . 0.0 110.298 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 138' ' ' VAL . 16.4 m -69.66 100.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 173.33 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.168 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.448 ' CB ' ' HA ' ' A' ' 133' ' ' LEU . . . -111.03 166.16 11.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.63 90.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 97' ' ' CYS . 12.5 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.48 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 1' ' ' SER . 18.3 Cg_endo -74.9 -165.46 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -54.38 -25.89 27.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 110.254 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.546 ' N ' HD13 ' A' ' 4' ' ' ILE . 3.4 mm -56.42 -38.41 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.387 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.404 ' HB2' ' H2 ' ' A' ' 1' ' ' SER . 6.5 ttp -98.44 -5.99 31.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.48 105.41 11.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.368 1.043 . . . . 0.0 109.239 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -119.69 138.7 53.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.794 HD12 ' N ' ' A' ' 9' ' ' SER . 3.2 pp -71.81 -167.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.794 ' N ' HD12 ' A' ' 8' ' ' LEU . 6.4 t -48.94 -100.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.04 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.593 ' O ' ' N ' ' A' ' 12' ' ' PHE . 4.0 m-20 -125.55 -34.98 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.612 ' ND2' HD13 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -28.72 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.678 ' CD2' ' CE ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -108.43 -64.17 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.94 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.84 -38.37 4.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.419 1.075 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -51.41 20.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -55.57 -42.08 74.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.678 ' CE ' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.16 -49.1 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.058 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -66.52 -41.13 89.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 14.6 mt-30 -69.22 -40.95 77.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.483 ' O ' HD12 ' A' ' 25' ' ' LEU . 2.2 m -60.64 -37.99 83.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.338 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -67.92 -5.17 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.623 1.202 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.99 -69.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -45.25 -44.71 11.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.496 ' HB2' HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -98.69 -11.68 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 51.54 18.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 110.055 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.695 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -84.04 167.94 24.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.983 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -75.05 120.36 6.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.398 1.736 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' HB2' ' CD ' ' A' ' 20' ' ' LYS . 5.4 t0 -67.22 -2.59 6.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 26' ' ' PRO . 15.3 p -81.54 -39.9 23.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.983 HG22 ' O ' ' A' ' 26' ' ' PRO . 32.2 m -62.94 -36.02 73.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 p -78.87 -31.45 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.587 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . -69.83 -17.27 63.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.568 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 54.9 t0 -77.06 -32.85 57.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.444 HD23 ' NE1' ' A' ' 37' ' ' TRP . 9.8 mt -50.77 -39.54 52.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.587 ' CE2' ' HA ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -74.5 -20.83 59.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -67.39 -73.45 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.367 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 161.08 28.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.599 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -95.33 26.5 3.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.008 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.606 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 27.7 mttm -43.46 -53.05 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.579 ' CG ' ' CE1' ' A' ' 123' ' ' HIS . 53.5 t0 -47.08 -35.72 7.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.599 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 20.8 t0 -89.07 76.91 7.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.606 ' CD2' ' O ' ' A' ' 38' ' ' LYS . 6.5 m-85 -97.33 -169.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' TYR . 30.9 m -32.53 -36.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -39.5 -27.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -119.68 -49.6 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.457 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.04 98.46 5.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -61.93 -40.42 95.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.249 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.644 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.26 -43.76 22.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.229 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.68 -31.84 62.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.492 ' HA3' ' CG1' ' A' ' 42' ' ' VAL . . . -82.19 -29.49 37.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.522 1.139 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.2 -45.32 20.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.461 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -56.63 -47.65 79.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.634 1.209 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -61.45 -39.17 81.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.451 ' CG ' ' CE1' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -59.63 -46.07 90.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -67.24 -20.44 65.67 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.552 1.158 . . . . 0.0 108.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.654 HD11 ' CD1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -53.56 -34.84 59.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.883 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -72.74 -12.0 60.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.12 -60.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.654 ' O ' HG22 ' A' ' 61' ' ' VAL . 4.3 mmtt -111.43 104.94 13.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.178 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 56' ' ' ALA . 3.2 mt -71.5 -23.07 61.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.26 -34.41 76.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 58' ' ' LYS . 30.7 m -88.67 -39.43 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.44 -44.06 94.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.441 ' HB2' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -128.53 104.42 19.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -42.23 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.542 1.812 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.07 4.08 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 97.95 45.72 2.38 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.02 -41.24 59.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.354 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.011 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -171.01 -174.21 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.534 ' N ' HD13 ' A' ' 68' ' ' LEU . 68.1 m80 -146.44 120.97 9.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.591 1.182 . . . . 0.0 109.615 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.477 ' HB2' ' CB ' ' A' ' 56' ' ' ALA . 10.0 t-160 -44.86 139.79 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.6 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 -45.75 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.088 . . . . 0.0 111.074 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -125.03 77.18 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.605 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -62.49 131.57 49.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -60.73 171.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.518 ' C ' ' HE1' ' A' ' 78' ' ' MET . 39.4 m-20 -71.72 1.55 6.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.405 ' H ' ' C ' ' A' ' 74' ' ' LYS . 4.6 m-85 -102.61 -29.42 11.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.651 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -56.02 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.595 1.184 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.773 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -74.41 42.48 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 111.086 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -140.91 -50.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.088 . . . . 0.0 109.357 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -69.25 -5.39 22.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 0.0 109.567 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.59 22.92 1.5 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.435 1.084 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -133.44 157.92 44.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -90.47 148.89 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -42.83 -29.66 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -67.6 -37.86 83.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.45 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.593 ' HE3' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -49.29 -38.4 27.16 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 0.0 110.964 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.46 ' N ' ' SD ' ' A' ' 86' ' ' MET . . . -47.5 -47.24 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.676 ' NE2' ' C ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -93.74 -51.98 4.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.401 1.063 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.564 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.3 mt-30 -39.14 -56.39 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.675 HD11 ' CD1' ' A' ' 118' ' ' PHE . 6.6 mp -47.54 -48.39 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.232 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.567 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 3.2 t -53.32 -14.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 31.9 t0 -79.41 -69.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.731 HG21 ' OE2' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -67.21 -47.53 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.653 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -51.7 -24.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.32 -32.41 58.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.667 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.477 ' HA2' ' CE ' ' A' ' 99' ' ' LYS . . . -90.13 -24.12 30.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.6 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -88.53 -63.15 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 4.9 tt0 -45.12 -34.81 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.383 1.052 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.477 ' CE ' ' HA2' ' A' ' 96' ' ' GLY . 0.6 OUTLIER -73.81 -30.14 62.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -96.45 -7.92 33.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -116.9 80.87 11.52 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.453 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.5 Cg_endo -74.97 174.07 13.41 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.433 1.754 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 41.0 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.556 1.819 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.453 ' H ' ' C ' ' A' ' 102' ' ' PRO . 6.2 t-20 -62.3 146.64 50.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.389 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 107' ' ' LYS . 83.3 m-20 -55.47 -21.72 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.5 OUTLIER -83.88 29.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 105' ' ' ASP . 2.3 ptmt -40.34 -29.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.452 ' N ' ' C ' ' A' ' 106' ' ' ASP . 5.8 t -51.46 -47.81 63.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.9 ptt? -102.22 -6.98 22.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.075 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -90.03 -79.62 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.0 m -45.36 -44.68 11.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.767 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.41 -44.44 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 6.4 t0 -45.74 -47.74 15.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.595 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -75.08 -56.63 8.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.362 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -47.67 -21.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.538 ' HG3' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -102.14 -35.81 8.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.413 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 1.9 t -45.39 -54.92 6.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.393 1.058 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.675 ' CD1' HD11 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -64.34 -36.04 82.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 110.942 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -62.09 -30.31 70.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.055 . . . . 0.0 109.36 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -63.07 -27.58 69.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.731 ' OE2' HG21 ' A' ' 93' ' ' ILE . 48.4 mm-40 -58.18 -27.8 64.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.676 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.4 mm -80.44 -41.83 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.613 1.196 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.579 ' CE1' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -47.1 -22.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.577 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -97.19 28.92 3.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.848 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.16 -93.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.617 ' H ' HD13 ' A' ' 125' ' ' LEU . 3.3 t30 -112.37 -3.83 14.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.848 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -90.79 153.39 20.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 108.014 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.7 p -91.86 117.87 67.97 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.515 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.0 Cg_endo -75.1 50.31 2.52 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.64 -32.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 129' ' ' PRO . 1.5 ttt -97.34 101.62 13.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.408 1.067 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.481 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.8 OUTLIER -126.9 95.36 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.811 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -174.98 133.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.432 ' HB ' HD13 ' A' ' 135' ' ' ILE . 51.3 t -115.36 -58.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.5 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -106.13 -5.52 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.48 30.93 23.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -125.69 175.24 7.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 110.349 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.519 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -68.22 112.2 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.447 HD11 ' O ' ' A' ' 96' ' ' GLY . 0.4 OUTLIER -176.71 -50.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 132' ' ' ASP . . . -78.95 165.08 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.83 84.39 0.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.484 ' HG2' ' CD1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -54.98 -24.82 25.92 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.59 1.181 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.524 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 4.8 mm -56.48 -37.36 51.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.67 -7.83 39.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -110.11 106.02 15.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -118.94 139.67 51.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -70.18 -169.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 8' ' ' LEU . 28.9 t -49.32 -101.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.052 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.619 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -123.77 -31.15 3.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.588 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -29.54 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.787 ' HA ' HD21 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -108.22 -67.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.961 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.15 -34.23 2.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 10' ' ' ASN . 34.8 ttpt -77.26 -55.72 5.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 0.773 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.917 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -59.49 -43.65 93.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 109.375 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.634 ' CE ' HD23 ' A' ' 55' ' ' LEU . 30.3 mmt -62.21 -38.76 90.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.051 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.45 -40.9 85.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.092 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 17.9 mt-30 -72.56 -39.92 67.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.515 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 96.8 m -63.32 -34.77 78.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 108.356 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -68.25 -7.27 29.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.94 -68.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.515 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -46.04 -42.58 13.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.547 ' HB2' HD12 ' A' ' 25' ' ' LEU . 3.0 mt -98.33 -12.85 21.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.498 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 2.8 m 53.29 16.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.616 1.198 . . . . 0.0 109.989 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.756 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -84.08 165.91 36.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.368 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.972 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.6 Cg_endo -74.92 121.49 6.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.603 1.844 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 31.8 p-10 -69.2 -1.18 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.396 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -83.28 -39.7 20.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.972 HG22 ' O ' ' A' ' 26' ' ' PRO . 26.9 m -61.16 -36.31 71.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.589 HG11 ' SD ' ' A' ' 16' ' ' MET . 11.0 p -77.13 -32.88 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.524 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -75.67 -28.27 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -70.43 -18.45 63.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.95 HD21 ' HB1' ' A' ' 48' ' ' ALA . 20.6 mt -57.36 -49.79 75.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.484 ' CD1' ' HG2' ' A' ' 3' ' ' GLU . 1.7 m-85 -51.34 -26.45 7.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 110.976 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.566 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 17.0 t30 -69.22 -58.06 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 14.0 m-85 -170.88 80.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.798 ' CD2' HD22 ' A' ' 33' ' ' LEU . 4.4 t90 -89.11 15.78 8.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.482 ' HB3' ' CA ' ' A' ' 123' ' ' HIS . 1.8 mptt -76.32 -64.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.4 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.62 ' CG ' ' CE1' ' A' ' 123' ' ' HIS . 59.6 t0 -73.38 -36.03 66.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.241 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -69.31 101.74 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.522 ' CD2' ' HB2' ' A' ' 43' ' ' MET . 6.3 t80 -102.92 148.44 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 46' ' ' ARG . 1.7 t -40.54 -28.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.522 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -48.6 -19.97 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 42' ' ' VAL . 1.2 m -112.91 -48.64 2.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -127.64 95.17 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.535 ' HA ' HG22 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -77.1 -41.84 40.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.676 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -46.5 -44.4 17.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.95 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -57.13 -33.77 67.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.482 ' CA ' HG13 ' A' ' 112' ' ' ILE . . . -77.33 -22.71 69.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -87.46 -40.74 14.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.564 ' O ' ' SG ' ' A' ' 54' ' ' CYS . . . -56.86 -48.14 78.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.217 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.491 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -66.24 -36.04 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -49.3 76.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.97 ' O ' HG23 ' A' ' 57' ' ' THR . 3.2 p -70.5 -31.75 68.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.172 . . . . 0.0 108.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.917 HD22 ' HB3' ' A' ' 15' ' ' ALA . 1.5 tm? -40.97 -28.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.72 ' HB1' ' CD1' ' A' ' 59' ' ' LEU . . . -62.67 -11.76 19.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.97 HG23 ' O ' ' A' ' 54' ' ' CYS . 25.4 p -14.08 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.623 ' O ' HG22 ' A' ' 61' ' ' VAL . 10.9 mmtm -114.61 94.69 4.89 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.572 1.17 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.72 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 1.1 mp -59.38 -15.77 18.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -68.62 -24.22 64.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.6 m -79.78 -41.15 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.641 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.73 -45.68 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 59' ' ' LEU . 5.4 p-10 -123.48 105.41 33.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -42.76 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.55 1.816 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.01 3.56 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.41 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 101.82 39.91 2.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 2.5 t30 -52.25 -37.11 54.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 0.782 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.009 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -169.83 -174.83 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.536 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 23.6 m-70 -146.93 112.91 5.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.405 1.066 . . . . 0.0 109.654 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' HIS . 2.4 t60 -39.05 140.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.522 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.02 -45.1 3.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -130.03 80.24 1.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.741 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -59.52 131.39 50.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 170.33 1.54 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.471 ' O ' ' CE ' ' A' ' 78' ' ' MET . 10.8 m-20 -72.29 0.5 9.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -101.05 -30.12 11.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.785 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . . . -58.91 -76.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.731 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -73.99 43.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.518 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.1 OUTLIER -142.31 -54.61 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.408 ' NE2' ' OD1' ' A' ' 67' ' ' ASN . 0.2 OUTLIER -71.14 -5.21 29.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.628 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.82 44.06 0.57 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.821 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.84 134.19 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' A' ' 86' ' ' MET . 4.2 m-20 -74.86 144.6 43.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.411 1.07 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -44.85 -33.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.2 t -77.31 -43.81 31.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.822 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -55.34 -23.06 21.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.438 ' HA ' ' CE ' ' A' ' 86' ' ' MET . . . -60.44 -52.7 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -44.93 8.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.193 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 24.2 mm100 -41.71 -62.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.853 HD21 ' CE1' ' A' ' 118' ' ' PHE . 10.8 mp -49.15 -44.84 43.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 1.0 OUTLIER -54.85 -17.67 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 0.0 109.322 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 32.4 t0 -75.09 -68.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.72 HG21 ' CD ' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -67.19 -47.25 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.604 1.19 . . . . 0.0 109.359 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.666 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -52.61 -24.86 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -75.89 -30.58 58.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.16 -24.31 34.88 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.598 1.186 . . . . 0.0 111.005 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.7 OUTLIER -90.28 -61.01 1.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 8.9 tm-20 -45.81 -33.52 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -73.42 -31.0 63.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.8 -8.75 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.056 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.619 ' HB3' HG22 ' A' ' 114' ' ' VAL . . . -117.77 79.01 12.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.423 ' C ' ' H ' ' A' ' 104' ' ' ASN . 18.1 Cg_endo -75.0 172.1 17.04 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 43.95 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 102' ' ' PRO . 5.6 t-20 -60.61 150.34 32.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 107' ' ' LYS . 1.5 m-20 -52.5 -29.32 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.9 OUTLIER -83.57 29.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.238 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 105' ' ' ASP . 4.8 pttt -40.71 -29.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.432 ' N ' ' C ' ' A' ' 106' ' ' ASP . 13.0 t -51.45 -46.61 63.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 108.274 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 106' ' ' ASP . 18.4 ttt -101.45 -7.76 22.57 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -89.74 -79.11 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.253 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 114' ' ' VAL . 6.5 m -44.75 -44.74 9.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.347 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.774 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.5 -44.39 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 110' ' ' LYS . 0.6 OUTLIER -44.64 -43.47 8.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.102 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.619 HG22 ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -75.25 -54.61 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.95 -20.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.699 ' HE2' ' CG ' ' A' ' 37' ' ' TRP . 3.2 tpt -101.54 -35.78 9.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 2.5 t -46.9 -51.55 16.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 108.258 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.853 ' CE1' HD21 ' A' ' 90' ' ' LEU . 3.1 t80 -65.58 -33.48 76.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -70.84 -30.38 66.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -67.98 -36.65 80.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.355 1.035 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.72 ' CD ' HG21 ' A' ' 93' ' ' ILE . 53.9 mm-40 -55.72 -27.7 51.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' A' ' 125' ' ' LEU . 3.5 mm -66.3 -36.64 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.62 ' CE1' ' CG ' ' A' ' 39' ' ' ASP . 21.4 t-160 -45.29 -19.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.69 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.485 ' N ' ' C ' ' A' ' 122' ' ' ILE . 29.3 mtmt -93.36 25.51 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.743 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -51.97 -100.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.635 ' H ' HD13 ' A' ' 125' ' ' LEU . 25.1 t30 -94.92 -31.58 13.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.61 ' H ' HD13 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -98.89 134.39 41.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.494 1.121 . . . . 0.0 108.003 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 68.5 t -105.6 116.76 59.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.355 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.583 ' HG3' ' CE1' ' A' ' 123' ' ' HIS . 18.2 Cg_endo -75.04 49.89 2.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.542 1.812 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -43.04 -35.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.3 ttt -105.71 108.82 20.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -120.03 124.55 46.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.876 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -41.49 114.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.507 HG12 HD13 ' A' ' 135' ' ' ILE . 7.3 p -116.08 -10.6 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.524 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -105.92 -21.02 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.781 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . 76.73 31.86 52.33 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -132.13 171.34 13.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 0.755 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 138' ' ' VAL . 15.7 m -64.81 115.88 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 172.92 -54.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.68 164.48 23.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -70.62 85.14 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.506 HG21 ' HB3' ' A' ' 133' ' ' LEU . 76.5 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.2 p . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -164.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 5.6 mm-40 -54.37 -25.16 22.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.511 HG23 ' HB1' ' A' ' 31' ' ' ALA . 4.5 mm -57.47 -37.5 58.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -5.22 26.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.5 104.18 8.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 4.3 p-10 -123.58 142.08 51.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.012 HD12 ' HB3' ' A' ' 11' ' ' ASN . 0.5 OUTLIER -58.86 171.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.748 ' H ' HD13 ' A' ' 8' ' ' LEU . 58.7 m -47.67 -85.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 12' ' ' PHE . 30.8 m120 -120.98 -38.74 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 1.012 ' HB3' HD12 ' A' ' 8' ' ' LEU . 2.1 t30 -33.8 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.56 ' CD1' HD21 ' A' ' 55' ' ' LEU . 9.2 m-85 -115.39 -68.64 0.91 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.95 -35.33 0.94 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 3.7 tmmm? -81.99 -51.77 7.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 0.757 . . . . 0.0 109.369 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.733 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -56.93 -43.72 81.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.58 1.175 . . . . 0.0 109.229 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.534 ' SD ' ' CG2' ' A' ' 30' ' ' VAL . 18.4 mmt -67.58 -42.15 83.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -68.53 -46.96 68.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.06 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 11.8 mt-30 -65.23 -37.67 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.49 ' HB3' HD12 ' A' ' 23' ' ' LEU . 7.6 m -61.74 -37.92 86.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 108.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -66.97 -6.88 18.58 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.368 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.86 -69.06 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 0.7 OUTLIER -48.39 -41.95 30.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 19' ' ' CYS . 2.7 mt -98.48 -11.62 22.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER 50.64 16.56 0.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.769 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -83.27 169.97 15.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.826 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.4 Cg_endo -74.89 121.6 6.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 0.0 111.053 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.601 ' O ' HG22 ' A' ' 30' ' ' VAL . 9.8 t70 -68.43 0.13 4.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 26' ' ' PRO . 32.2 p -79.99 -42.12 24.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 26' ' ' PRO . 34.1 m -65.13 -35.39 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 27' ' ' ASP . 2.8 m -72.97 -40.36 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' HB1' HG23 ' A' ' 4' ' ' ILE . . . -68.88 -19.45 64.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.567 ' CG ' ' CG ' ' A' ' 37' ' ' TRP . 66.0 t0 -70.33 -33.83 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.48 ' N ' ' HE1' ' A' ' 37' ' ' TRP . 12.1 mt -53.25 -33.25 52.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -73.61 -22.05 60.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -68.81 -73.14 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.536 ' CB ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 160.14 28.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 1.195 . . . . 0.0 110.985 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CE3' ' CG ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -95.04 25.43 4.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.618 ' O ' ' CE2' ' A' ' 41' ' ' TYR . 5.3 mttp -45.02 -52.41 8.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.54 ' HB2' ' CD2' ' A' ' 123' ' ' HIS . 2.9 p-10 -46.57 -33.0 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.601 ' CG ' ' CE3' ' A' ' 37' ' ' TRP . 10.2 t0 -83.61 85.75 7.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 38' ' ' LYS . 96.7 m-85 -99.53 -169.99 1.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.761 HG22 ' HA ' ' A' ' 46' ' ' ARG . 24.4 t -33.76 -35.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.243 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -38.94 -27.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -117.69 -53.46 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -128.41 110.83 12.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.761 ' HA ' HG22 ' A' ' 42' ' ' VAL . 1.8 tmm_? -70.0 -41.48 74.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.65 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.72 -44.06 27.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.244 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.17 70.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.517 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -80.62 -31.58 36.26 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.16 -45.83 17.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -55.11 -47.08 75.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -56.87 -38.94 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.552 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -63.03 -44.36 96.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.618 ' O ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -63.12 -21.27 66.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.591 1.182 . . . . 0.0 108.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.733 HD22 ' HB3' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -52.97 -35.42 58.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.882 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -74.95 -12.53 60.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -14.65 -60.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.653 ' O ' HG22 ' A' ' 61' ' ' VAL . 33.8 mmtt -111.92 95.53 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.882 HD23 ' O ' ' A' ' 56' ' ' ALA . 8.6 mt -60.39 -15.54 27.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.34 -23.24 62.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.219 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.4 m -81.77 -41.83 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.634 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.89 -46.66 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.2 p30 -123.32 106.26 33.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -41.36 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.54 -0.79 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 63' ' ' ASP . . . 104.92 41.54 1.95 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.665 ' OD1' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -52.01 -35.49 46.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.975 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -168.94 -174.52 2.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.493 ' N ' HD13 ' A' ' 68' ' ' LEU . 40.9 m-70 -146.02 118.83 8.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.19 . . . . 0.0 109.585 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 12.6 t-80 -43.87 141.76 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.83 -45.35 3.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -128.24 79.52 1.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 0.747 . . . . 0.0 109.346 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -64.32 131.02 46.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.8 172.19 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.51 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 42.8 m-20 -70.27 -0.72 8.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 26.5 m-85 -88.87 -45.02 10.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.609 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -66.31 -58.79 4.59 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.545 ' O ' ' CE ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -75.83 41.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 1.2 ttmm -143.92 -57.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.609 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -70.36 -4.75 23.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.618 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.62 41.32 0.75 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.438 1.086 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.756 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.25 133.66 45.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 86' ' ' MET . 0.8 OUTLIER -80.23 139.7 36.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -40.81 -32.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.287 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.405 ' OG1' ' HG3' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -76.8 -43.28 37.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.408 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.756 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.11 -28.82 41.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.485 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -53.59 -51.55 62.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.6 -43.27 8.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.9 mt-30 -46.0 -59.69 2.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.769 HD11 ' CE1' ' A' ' 118' ' ' PHE . 10.1 mt -46.29 -44.39 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.583 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.6 t -56.28 -15.6 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 89' ' ' GLN . 5.1 m-20 -76.72 -71.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.702 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -62.64 -47.19 94.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.617 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.54 -26.91 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.9 m170 -76.25 -30.46 57.88 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.534 1.146 . . . . 0.0 109.659 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -88.38 -23.72 36.19 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.543 1.152 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 101' ' ' ALA . 2.7 m -90.1 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 1.7 tt0 -45.57 -35.31 3.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.245 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -73.01 -30.5 63.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.609 1.193 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.41 -6.58 40.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.94 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.571 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -115.47 82.7 9.96 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.582 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.4 Cg_endo -74.91 176.28 10.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 44.45 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' A' ' 102' ' ' PRO . 1.2 t-20 -63.69 142.3 58.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' ' 107' ' ' LYS . 31.0 m-20 -56.54 -19.87 17.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 109' ' ' MET . 0.8 OUTLIER -82.18 32.71 0.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' H ' ' C ' ' A' ' 105' ' ' ASP . 11.3 pttt -40.3 -28.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.474 ' N ' ' C ' ' A' ' 106' ' ' ASP . 33.4 t -61.64 -52.45 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 108.294 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -90.85 -13.51 33.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.582 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.3 OUTLIER -89.4 -69.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 8.2 m -42.92 -44.99 4.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.675 ' HA ' ' HB3' ' A' ' 115' ' ' ALA . 0.0 OUTLIER -48.08 -48.09 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 116' ' ' MET . 2.6 t70 -40.55 -48.81 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.235 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.571 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -84.73 -49.55 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -45.08 -25.75 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.584 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -105.16 -33.14 8.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.133 . . . . 0.0 110.982 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 17.5 t -39.54 -55.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.769 ' CE1' HD11 ' A' ' 90' ' ' LEU . 1.2 t80 -65.65 -42.26 91.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.555 ' HA ' HD13 ' A' ' 122' ' ' ILE . 19.4 mttp -59.3 -29.95 67.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 41' ' ' TYR . 5.3 mttp -60.65 -28.6 68.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 124' ' ' LYS . 8.0 mm-40 -59.59 -28.9 67.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.782 HD12 ' N ' ' A' ' 122' ' ' ILE . 2.2 mp -82.25 -42.26 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -48.06 -21.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 125' ' ' LEU . 0.4 OUTLIER -98.87 25.94 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.923 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.0 OUTLIER -41.93 -95.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.691 ' H ' HD13 ' A' ' 125' ' ' LEU . 4.0 m-80 -104.58 -3.31 23.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.923 ' CD2' HD11 ' A' ' 125' ' ' LEU . 1.3 m0 -90.26 154.39 19.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.8 m -92.6 121.06 66.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.435 ' C ' ' N ' ' A' ' 131' ' ' MET . 18.2 Cg_endo -75.02 51.98 2.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.571 1.827 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' PRO . 13.6 t-20 -38.81 -31.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.17 . . . . 0.0 109.367 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.435 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.6 OUTLIER -98.04 99.97 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.899 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 8.0 m-20 -127.98 96.47 4.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.852 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -171.68 125.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.524 ' HB ' HD13 ' A' ' 135' ' ' ILE . 90.4 t -114.57 -60.18 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.39 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.524 HD13 ' HB ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -105.36 -11.26 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.3 26.7 35.52 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.91 174.78 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.539 ' O ' HD23 ' A' ' 139' ' ' LEU . 0.5 OUTLIER -75.4 114.32 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER 174.34 -70.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.899 ' HB1' ' HB3' ' A' ' 132' ' ' ASP . . . -78.99 165.19 23.72 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.454 1.097 . . . . 0.0 109.238 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.413 ' N ' ' HB3' ' A' ' 132' ' ' ASP . 4.2 mt-10 -69.42 87.07 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 -179.94 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.495 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 1' ' ' SER . 18.3 Cg_endo -74.98 -166.51 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.541 ' OE2' ' CZ ' ' A' ' 34' ' ' TYR . 5.9 mm-40 -55.56 -25.29 37.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.605 HD11 ' OD1' ' A' ' 35' ' ' ASN . 4.9 mm -53.79 -39.83 41.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 ttm -94.51 -11.85 28.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -109.65 105.63 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.213 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.6 p-10 -119.53 145.98 45.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 109.384 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.967 HD12 ' HB3' ' A' ' 11' ' ' ASN . 0.8 OUTLIER -60.08 171.05 1.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.778 ' H ' HD13 ' A' ' 8' ' ' LEU . 42.7 t -47.13 -80.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.455 1.097 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 12' ' ' PHE . 71.6 m-20 -121.36 -39.01 2.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.967 ' HB3' HD12 ' A' ' 8' ' ' LEU . 2.2 t30 -34.36 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.64 ' CD1' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -115.1 -66.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.6 -34.8 1.85 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 24.7 ttpp -80.44 -53.96 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.802 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -57.67 -40.98 80.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.44 -48.11 76.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.1 -39.96 86.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 15.3 mt-30 -70.4 -42.64 71.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.507 ' O ' HD12 ' A' ' 25' ' ' LEU . 4.3 m -62.08 -40.41 95.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.217 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.587 ' O ' ' HA ' ' A' ' 24' ' ' SER . 1.1 ttpm? -66.48 -4.52 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.83 -69.6 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -46.71 -44.51 18.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -99.34 -11.15 21.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.1 m 50.22 18.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.655 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -81.89 168.46 23.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.361 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.899 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.4 Cg_endo -75.02 119.22 5.55 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.5 1.789 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.54 ' HA ' HG22 ' A' ' 30' ' ' VAL . 24.7 p-10 -67.05 0.35 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 26' ' ' PRO . 6.8 p -81.3 -40.76 23.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.4 m -64.76 -37.0 79.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.565 HG11 ' CB ' ' A' ' 51' ' ' ALA . 34.9 m -77.53 -31.13 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -65.34 -17.49 64.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.422 ' HA ' ' HB2' ' A' ' 35' ' ' ASN . 11.7 t0 -81.02 -19.4 43.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.692 ' CD2' ' CH2' ' A' ' 37' ' ' TRP . 13.3 mt -50.34 -50.95 49.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.541 ' CZ ' ' OE2' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -67.87 -21.88 65.14 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 0.0 110.927 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.605 ' OD1' HD11 ' A' ' 4' ' ' ILE . 0.8 OUTLIER -74.29 -73.2 0.24 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 0.4 OUTLIER 158.8 48.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 111.081 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.692 ' CH2' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.35 16.65 9.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 108.044 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -44.61 -55.53 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -51.68 -35.63 43.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.567 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 19.5 t0 -76.09 56.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.219 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.665 ' CD1' ' HB2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -57.46 173.2 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 111.093 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.838 HG22 ' HA ' ' A' ' 46' ' ' ARG . 2.2 t -43.18 -36.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.665 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 14.5 mtp -39.37 -27.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.3 m -108.13 -52.61 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.31 98.04 4.59 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.838 ' HA ' HG22 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -67.75 -32.34 72.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.849 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -55.23 -44.28 75.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.173 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.433 ' HA ' HG12 ' A' ' 30' ' ' VAL . . . -60.32 -32.07 70.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.667 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -80.71 -31.23 36.91 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.511 1.132 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.01 -44.39 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.565 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -59.58 -49.16 78.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.667 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -50.15 -36.49 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.533 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -62.77 -43.58 98.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.64 ' O ' HG22 ' A' ' 57' ' ' THR . 0.4 OUTLIER -64.83 -28.63 69.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 108.356 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -53.46 -33.23 53.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.61 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -75.41 -13.21 60.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -18.08 -59.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.472 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 61' ' ' VAL . 44.0 mmtt -112.54 94.5 4.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.69 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -61.63 -16.09 45.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -22.56 63.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.3 m -82.99 -41.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.69 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.12 -45.05 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 4.4 p30 -122.31 103.02 39.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.17 -42.13 0.53 Allowed 'Trans proline' 0 C--N 1.362 1.262 0 O-C-N 124.455 1.766 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -111.74 0.54 16.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.66 41.38 1.87 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 2.0 t30 -53.44 -37.31 62.48 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 0.738 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.044 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -171.94 -176.74 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.659 ' CD2' HD23 ' A' ' 59' ' ' LEU . 49.4 m80 -146.15 118.29 8.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.54 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.533 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 10.2 t-80 -42.46 140.55 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.65 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.33 -45.24 3.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.582 1.176 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -127.82 82.19 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.595 0.821 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -65.75 130.37 43.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.15 172.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.565 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.5 OUTLIER -70.17 -1.41 10.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -86.3 -45.48 11.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.506 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . . . -67.62 -58.43 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.565 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -75.5 41.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.918 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.478 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 2.7 tttp -148.99 -55.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -69.43 -5.59 24.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.556 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -155.59 43.81 0.55 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.781 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -130.16 133.7 46.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 109.205 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 86' ' ' MET . 4.6 m-20 -81.51 141.35 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -31.21 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 89' ' ' GLN . 2.2 t -75.51 -43.7 47.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.614 1.196 . . . . 0.0 110.475 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.781 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -54.23 -26.96 31.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 111.018 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.476 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -53.67 -55.83 22.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.482 HE21 ' N ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -94.01 -43.2 8.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 62.7 mm-40 -44.1 -60.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.723 ' O ' HD13 ' A' ' 93' ' ' ILE . 15.7 mt -46.58 -43.4 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.577 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 2.9 t -57.05 -15.9 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 3.7 m-20 -76.84 -71.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.723 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -60.91 -47.0 95.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.618 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.76 -28.5 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 2.5 m170 -76.38 -29.68 57.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.585 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.421 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -87.73 -24.24 36.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 101' ' ' ALA . 1.2 m -89.37 -61.94 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 0.5 OUTLIER -45.76 -34.07 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -74.96 -30.57 61.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.358 1.036 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.532 ' OG ' HG21 ' A' ' 138' ' ' VAL . 0.2 OUTLIER -94.86 -6.83 41.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.567 ' CB ' HG22 ' A' ' 114' ' ' VAL . . . -115.39 83.56 10.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.59 ' O ' ' CE ' ' A' ' 110' ' ' LYS . 18.6 Cg_endo -75.01 176.8 9.44 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.6 Cg_endo -75.02 46.74 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.529 1.805 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.412 ' OD1' ' HG2' ' A' ' 102' ' ' PRO . 27.9 m120 -63.76 142.12 58.52 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 107' ' ' LYS . 0.7 OUTLIER -56.95 -18.79 14.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -81.72 32.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.489 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 19.0 ptmt -41.13 -25.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.473 ' N ' ' O ' ' A' ' 106' ' ' ASP . 25.0 t -61.52 -50.74 71.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 108.3 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.7 ttp -102.6 -4.9 24.51 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.59 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -89.1 -69.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.419 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 6.0 m -52.51 -42.5 64.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.685 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.26 -46.57 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.181 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 116' ' ' MET . 1.2 t0 -42.84 -45.41 4.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.567 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -79.24 -48.91 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -51.85 -20.23 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.483 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 8.2 ptt? -104.93 -27.73 11.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 116' ' ' MET . 6.9 t -48.98 -55.3 12.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 108.297 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.712 ' CE1' HD11 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -64.91 -43.78 91.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 0.0 110.975 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -59.83 -29.21 68.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.391 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -59.85 -33.32 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -59.01 -29.41 67.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.68 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.4 mm -76.71 -37.53 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.459 ' CE1' ' HB3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -47.9 -18.77 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.513 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.471 ' N ' ' C ' ' A' ' 122' ' ' ILE . 5.5 mttp -96.52 26.23 4.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.876 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -44.81 -95.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.642 ' H ' HD13 ' A' ' 125' ' ' LEU . 4.6 m-80 -103.32 -4.0 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.876 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.8 OUTLIER -91.0 153.88 19.84 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.24 118.29 59.32 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.47 ' HG3' ' CG ' ' A' ' 124' ' ' LYS . 18.2 Cg_endo -75.05 51.63 2.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.57 1.826 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -43.1 -26.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.45 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -92.99 100.87 13.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.502 ' O ' ' C ' ' A' ' 133' ' ' LEU . 1.0 OUTLIER -128.75 126.47 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.891 HD22 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -31.98 117.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.4 ' H ' HD13 ' A' ' 135' ' ' ILE . 7.7 p -115.43 7.7 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.385 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.519 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -97.93 -10.2 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.634 1.209 . . . . 0.0 109.342 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.99 33.39 18.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.474 ' H ' HD23 ' A' ' 133' ' ' LEU . 1.5 tt0 -107.27 134.23 50.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 0.787 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.532 HG21 ' OG ' ' A' ' 100' ' ' SER . 14.7 m -66.82 121.13 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.3 mt 173.01 -68.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.398 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.629 ' HB3' HD12 ' A' ' 133' ' ' LEU . . . -83.4 165.93 18.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 142' ' ' VAL . 0.7 OUTLIER -74.24 90.28 2.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 110.231 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.454 ' CA ' HD11 ' A' ' 133' ' ' LEU . 25.0 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.83 -165.06 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.416 1.745 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.24 -25.5 33.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.545 HD12 ' HB1' ' A' ' 31' ' ' ALA . 5.7 mm -53.96 -36.9 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.355 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.0 ptm -54.17 -30.22 48.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.73 105.78 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.576 1.172 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -119.89 138.92 53.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.344 1.028 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.824 HD11 ' HB2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.87 -167.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t -59.43 -102.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.015 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.612 ' O ' ' N ' ' A' ' 12' ' ' PHE . 1.9 m-20 -125.24 -27.97 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.54 ' C ' ' O ' ' A' ' 10' ' ' ASN . 2.1 m120 -27.63 -39.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.157 . . . . 0.0 109.28 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.824 ' HB2' HD11 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -106.9 -64.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 111.028 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.36 -33.58 1.42 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -75.3 -54.59 6.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 0.803 . . . . 0.0 109.286 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.732 ' HB3' HD22 ' A' ' 55' ' ' LEU . . . -60.33 -43.76 96.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.727 ' SD ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -63.17 -38.28 90.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.18 -43.6 73.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.393 1.058 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.42 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 20.6 mt-30 -71.15 -35.25 71.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.537 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -64.47 -35.33 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -66.27 -6.8 15.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -112.07 -68.09 0.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 19' ' ' CYS . 1.9 pt-20 -49.19 -44.14 42.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.261 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 71.3 mt -97.71 -11.14 23.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.3 m 50.4 18.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.047 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.41 166.53 35.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.992 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.3 Cg_endo -74.95 120.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.526 ' HA ' ' CG2' ' A' ' 30' ' ' VAL . 11.6 t0 -66.84 -1.93 4.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 26' ' ' PRO . 20.5 p -82.44 -39.3 22.78 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.992 HG22 ' O ' ' A' ' 26' ' ' PRO . 31.8 m -63.44 -36.72 77.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.622 1.201 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.53 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -77.47 -32.67 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.361 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.545 ' HB1' HD12 ' A' ' 4' ' ' ILE . . . -68.49 -16.93 64.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -77.07 -21.03 55.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -55.82 -51.05 68.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -21.44 61.39 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 17.2 t30 -75.58 -65.51 0.89 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 163.27 46.68 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.629 ' CE3' ' C ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -91.17 12.77 19.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 108.001 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 1.5 ttmt -44.83 -55.68 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.614 ' CB ' ' CD2' ' A' ' 123' ' ' HIS . 0.5 OUTLIER -65.31 -28.15 69.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.571 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 17.5 t0 -69.16 87.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.553 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 50.7 t80 -90.24 172.88 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.89 HG22 ' HA ' ' A' ' 46' ' ' ARG . 25.1 t -38.99 -29.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' TYR . 9.9 tpt -39.42 -27.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -111.42 -59.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.477 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -134.36 114.1 12.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.89 ' HA ' HG22 ' A' ' 42' ' ' VAL . 1.3 ttm180 -75.74 -39.77 56.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.648 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.28 -43.37 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 52' ' ' ILE . . . -60.85 -33.12 72.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.487 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -83.08 -31.85 27.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.9 -45.56 20.36 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.53 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -56.58 -47.77 78.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.648 HG12 HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -54.7 -42.84 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.361 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.44 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -56.82 -41.22 77.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 1.003 ' O ' HG23 ' A' ' 57' ' ' THR . 0.5 OUTLIER -65.58 -29.69 70.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 108.171 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.756 HD21 ' HA ' ' A' ' 12' ' ' PHE . 2.2 tm? -41.35 -27.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 109.276 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.632 ' HB1' ' CD1' ' A' ' 59' ' ' LEU . . . -61.23 -12.64 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 1.003 HG23 ' O ' ' A' ' 54' ' ' CYS . 27.8 p -17.07 -61.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.669 ' O ' HG22 ' A' ' 61' ' ' VAL . 11.7 mmtt -114.85 93.1 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.649 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 1.1 mp -58.15 -15.85 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.72 -24.33 63.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.7 m -80.24 -41.43 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.649 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -81.23 -46.26 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' LEU . 5.2 p-10 -124.2 105.44 31.41 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -43.17 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.424 1.749 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -112.81 2.66 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.19 39.33 2.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.401 1.063 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.683 ' OD1' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -53.54 -37.73 63.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.032 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -168.78 -176.49 2.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.402 1.064 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.61 ' CD2' ' O ' ' A' ' 68' ' ' LEU . 40.7 m170 -147.25 112.08 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.578 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 53' ' ' ASN . 3.8 t-80 -40.65 143.39 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 109.615 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.78 -45.0 3.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -129.49 74.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.81 130.38 43.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -61.77 168.84 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.49 ' O ' ' HE1' ' A' ' 78' ' ' MET . 1.3 m-20 -71.75 1.75 6.41 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.575 1.172 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.455 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 4.6 t80 -100.55 -28.46 12.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.371 1.044 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' A' ' 68' ' ' LEU . . . -54.48 -76.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.743 ' HG2' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -76.56 39.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.491 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -144.81 -55.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.455 ' ND1' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -70.46 -5.7 30.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.589 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.8 24.16 1.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' HG2' ' A' ' 86' ' ' MET . . . -131.99 149.34 52.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.45 142.16 53.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 109.376 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.57 -35.66 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 7.3 t -81.4 -44.5 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.56 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 12.7 ttm -53.52 -42.66 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 91' ' ' VAL . . . -54.19 -46.75 72.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.45 ' NE2' ' OE1' ' A' ' 89' ' ' GLN . 0.4 OUTLIER -74.17 -41.93 60.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.242 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 20.3 mm100 -48.42 -54.48 13.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.899 HD21 ' CD1' ' A' ' 118' ' ' PHE . 7.3 mp -46.81 -45.52 20.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.545 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 9.4 t -52.43 -17.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 45.4 t0 -76.32 -68.69 0.56 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -66.98 -46.98 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.671 ' H ' HD13 ' A' ' 93' ' ' ILE . 1.1 mt -51.92 -24.57 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.213 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 1.3 m170 -76.6 -30.74 57.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' ILE . . . -89.63 -24.68 29.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.567 1.167 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 100' ' ' SER . 0.7 OUTLIER -87.94 -63.77 1.25 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 16.4 tt0 -45.77 -33.91 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.201 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.425 ' HG2' ' C ' ' A' ' 96' ' ' GLY . 27.3 pttt -73.46 -31.22 63.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -94.9 -7.03 41.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.08 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -115.63 83.31 11.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.574 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.3 Cg_endo -74.98 175.84 10.7 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 111.066 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 17.9 Cg_endo -75.01 45.4 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.578 1.83 . . . . 0.0 111.028 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 102' ' ' PRO . 32.1 t-20 -63.4 143.77 57.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.098 . . . . 0.0 109.364 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 107' ' ' LYS . 1.4 m-20 -57.08 -19.07 17.16 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.602 1.189 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 110' ' ' LYS . 43.3 m-20 -81.86 30.96 0.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.445 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 2.3 mtpt -41.23 -26.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.469 ' N ' ' C ' ' A' ' 106' ' ' ASP . 32.4 t -61.68 -51.44 68.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.563 1.164 . . . . 0.0 108.25 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.3 OUTLIER -97.01 -10.18 26.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.574 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -88.4 -69.34 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.441 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 7.0 m -48.19 -42.95 31.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.68 -46.48 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -43.06 -54.06 4.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.497 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -76.23 -48.48 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.612 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -47.46 -23.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.578 ' HG3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -105.54 -36.56 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 116' ' ' MET . 4.4 t -41.19 -51.51 3.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 108.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.899 ' CD1' HD21 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -66.31 -45.08 81.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.424 ' HB3' ' CE ' ' A' ' 116' ' ' MET . 6.2 mttt -59.05 -30.87 68.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 116' ' ' MET . 0.1 OUTLIER -61.18 -28.41 69.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 124' ' ' LYS . 16.1 mm-40 -59.01 -28.81 66.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.656 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.5 mm -78.79 -36.86 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.614 ' CD2' ' CB ' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -47.36 -18.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.685 1.241 . . . . 0.0 109.635 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.452 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -95.4 26.82 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.831 HD11 ' CD2' ' A' ' 127' ' ' TRP . 0.1 OUTLIER -43.77 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.61 ' H ' HD13 ' A' ' 125' ' ' LEU . 3.7 t30 -112.64 -6.19 13.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.831 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -91.79 152.16 20.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 128' ' ' VAL . 2.9 m -94.39 117.81 67.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.0 Cg_endo -74.95 51.12 2.69 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 129' ' ' PRO . 2.3 t-20 -39.23 -31.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.445 ' N ' ' C ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -95.69 100.54 12.24 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.573 1.171 . . . . 0.0 111.054 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.427 ' HB3' ' N ' ' A' ' 141' ' ' GLU . 0.2 OUTLIER -118.63 106.15 12.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.802 HD13 ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -175.83 115.81 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.522 ' HB ' HD13 ' A' ' 135' ' ' ILE . 92.4 t -115.29 -60.22 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.522 HD13 ' HB ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -105.45 -19.95 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.52 30.28 27.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.35 173.0 6.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 138' ' ' VAL . 13.2 m -65.06 99.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.43 -63.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.63 165.19 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.427 ' N ' ' HB3' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -73.35 84.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.464 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 1' ' ' SER . 18.3 Cg_endo -74.97 -165.83 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.62 1.852 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 34' ' ' TYR . 15.9 mm-40 -57.04 -21.8 34.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.595 1.184 . . . . 0.0 110.22 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.796 HD11 HD21 ' A' ' 35' ' ' ASN . 16.4 mm -52.06 -41.6 32.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.41 0.28 17.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 105.19 8.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.226 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 3.5 p-10 -123.32 139.93 53.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.876 HD12 ' CG ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -69.21 -170.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.393 1.058 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -52.45 -99.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.086 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' PHE . 6.5 m120 -121.8 -31.37 3.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.639 1.212 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.876 ' CG ' HD12 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -26.77 -42.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 1.137 ' CE1' HD21 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -109.46 -64.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.435 ' HA2' ' SD ' ' A' ' 16' ' ' MET . . . -40.81 -34.79 0.81 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.488 1.118 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' A' ' 10' ' ' ASN . 18.0 ttpp -80.93 -42.56 21.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.692 ' HB1' ' HA ' ' A' ' 55' ' ' LEU . . . -56.99 -47.82 79.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.6 ' HE3' ' CD2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -72.96 -38.22 66.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 8.2 t70 -65.88 -39.98 91.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.506 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 19.4 mt-30 -71.81 -42.45 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.701 ' HB3' HD11 ' A' ' 25' ' ' LEU . 1.1 m -62.33 -40.59 96.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.49 ' CD ' ' HB3' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -57.07 -13.37 2.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -109.34 -70.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.543 ' HG3' HD23 ' A' ' 23' ' ' LEU . 3.0 pt-20 -57.42 -34.47 68.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.543 HD23 ' HG3' ' A' ' 22' ' ' GLU . 4.1 mm? -97.85 -12.51 22.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m 45.45 21.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.967 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -91.64 168.35 13.45 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.975 ' O ' HG22 ' A' ' 29' ' ' VAL . 18.4 Cg_endo -74.98 120.71 6.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.579 1.831 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.49 ' HB3' ' CD ' ' A' ' 20' ' ' LYS . 40.0 p-10 -66.99 -0.68 3.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 0.0 109.232 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.433 ' H ' ' C ' ' A' ' 26' ' ' PRO . 29.7 p -82.44 -39.85 21.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.975 HG22 ' O ' ' A' ' 26' ' ' PRO . 28.2 m -61.62 -37.37 77.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.494 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 11.9 p -77.71 -33.09 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.522 ' O ' ' CD1' ' A' ' 4' ' ' ILE . . . -68.85 -13.39 62.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 9.2 t0 -72.01 -33.21 67.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.146 HD13 ' CZ3' ' A' ' 37' ' ' TRP . 7.2 tp -54.22 -35.02 61.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.481 ' HB2' ' O ' ' A' ' 31' ' ' ALA . 11.0 m-85 -52.79 -37.59 59.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.373 1.046 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.796 HD21 HD11 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -86.44 -70.69 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 2.0 m-85 178.28 66.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.425 1.078 . . . . 0.0 111.038 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 1.146 ' CZ3' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.83 15.87 12.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.0 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' O ' ' CE ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -54.76 -55.93 24.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.636 ' CB ' ' CD2' ' A' ' 123' ' ' HIS . 0.3 OUTLIER -59.66 -33.46 71.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.36 85.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.836 ' CZ ' HG22 ' A' ' 42' ' ' VAL . 32.6 t80 -92.53 164.05 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.068 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.836 HG22 ' CZ ' ' A' ' 41' ' ' TYR . 27.5 m -40.38 -28.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.431 1.082 . . . . 0.0 109.238 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' TYR . 11.2 tpt -38.22 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 42' ' ' VAL . 1.2 m -112.56 -53.03 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.361 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -133.05 107.74 8.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -63.35 -44.34 95.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.623 ' H ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -46.81 -43.45 18.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.68 -32.71 59.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -81.56 -30.56 36.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.71 -40.05 42.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HB1' ' CG2' ' A' ' 30' ' ' VAL . . . -55.54 -48.16 75.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.495 HG22 ' O ' ' A' ' 49' ' ' GLY . 0.7 OUTLIER -62.53 -47.29 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' HA ' ' NE2' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -60.02 -45.28 93.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.427 1.079 . . . . 0.0 109.366 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -64.57 -21.9 66.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 108.299 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.137 HD21 ' CE1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -52.93 -33.73 52.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.622 1.201 . . . . 0.0 109.347 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.616 ' O ' ' C ' ' A' ' 57' ' ' THR . . . -71.59 -12.05 61.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.232 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.616 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -16.61 -60.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 110.448 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.673 ' O ' HG22 ' A' ' 61' ' ' VAL . 15.2 mmtt -112.08 94.97 5.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.638 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 0.7 OUTLIER -59.0 -16.26 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.41 -22.58 62.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 58' ' ' LYS . 1.5 m -82.34 -41.73 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.638 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -80.88 -45.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.238 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.6 p-10 -123.09 103.35 36.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -42.03 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.93 0.38 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.87 39.44 2.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.958 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.427 ' N ' ' HB2' ' A' ' 63' ' ' ASP . 63.2 t30 -53.43 -37.76 62.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.999 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -167.18 -176.5 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.471 ' N ' HD13 ' A' ' 68' ' ' LEU . 5.9 m-70 -146.71 118.71 8.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.528 ' CG ' ' HB2' ' A' ' 56' ' ' ALA . 8.3 t60 -42.04 142.58 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.607 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.61 -44.69 2.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -128.84 76.76 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.803 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -60.51 131.25 50.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -60.73 171.34 1.18 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.561 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 3.0 m-20 -70.23 -2.21 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.92 -46.09 10.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.6 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . . . -65.67 -58.95 4.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.561 ' CE ' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -76.38 42.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 111.008 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.483 ' HB2' ' CE ' ' A' ' 78' ' ' MET . 0.3 OUTLIER -152.06 -52.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.6 ' CE1' ' HA ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -67.84 -6.47 21.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.072 . . . . 0.0 109.586 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -159.65 44.94 0.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.571 1.17 . . . . 0.0 111.016 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.768 ' HB1' ' CG ' ' A' ' 86' ' ' MET . . . -131.01 132.97 45.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.763 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' MET . 7.7 m-20 -79.92 141.44 36.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.01 -32.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.311 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -77.38 -41.92 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.87 ' SD ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -54.19 -24.53 18.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -59.98 -54.22 48.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -43.37 11.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.629 1.206 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 3.6 mt-30 -43.3 -62.22 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.046 HD21 ' CE1' ' A' ' 118' ' ' PHE . 6.4 mp -49.24 -43.97 43.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.227 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 0.9 OUTLIER -56.31 -18.35 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 109.358 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 39.0 t0 -73.54 -69.36 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -64.64 -46.79 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.599 1.187 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.627 ' H ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -52.85 -27.46 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.394 1.059 . . . . 0.0 109.367 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.563 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 1.5 m170 -75.53 -31.11 59.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.565 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.403 ' HA2' ' HG2' ' A' ' 99' ' ' LYS . . . -89.43 -23.96 32.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.557 ' O ' ' N ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -89.33 -61.83 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.486 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 2.1 tt0 -45.47 -35.33 3.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -73.89 -30.48 62.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.581 1.175 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 97' ' ' CYS . 0.2 OUTLIER -95.0 -5.43 44.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.95 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 97' ' ' CYS . . . -114.66 82.8 8.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.559 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -74.99 176.47 9.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 44.97 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.4 1.737 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 102' ' ' PRO . 0.8 OUTLIER -63.78 141.4 58.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 107' ' ' LYS . 6.9 p-10 -56.54 -18.39 11.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.8 t0 -80.62 32.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.491 ' HA ' ' HB3' ' A' ' 110' ' ' LYS . 1.8 tmtt? -40.91 -26.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.475 ' N ' ' C ' ' A' ' 106' ' ' ASP . 11.4 t -62.21 -51.39 68.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.339 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.511 ' N ' ' O ' ' A' ' 106' ' ' ASP . 7.6 ttt -100.67 -4.93 27.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.079 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -90.02 -69.81 0.7 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.413 ' CB ' ' HG2' ' A' ' 107' ' ' LYS . 84.0 m -51.64 -41.45 61.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.45 -46.81 10.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.71 -52.33 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.523 HG22 ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -75.84 -49.58 25.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 112' ' ' ILE . . . -49.5 -22.2 1.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.59 -37.29 7.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.92 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.0 t -41.5 -54.4 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 108.271 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 1.046 ' CE1' HD21 ' A' ' 90' ' ' LEU . 1.4 t80 -66.29 -37.71 86.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -62.63 -30.43 71.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.182 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 116' ' ' MET . 27.0 mttt -61.56 -29.13 69.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.473 ' HA ' ' CE ' ' A' ' 124' ' ' LYS . 8.0 mm-40 -59.94 -28.47 67.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.24 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.63 HD13 ' N ' ' A' ' 122' ' ' ILE . 1.6 mm -80.79 -36.42 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.636 ' CD2' ' CB ' ' A' ' 39' ' ' ASP . 2.0 t-160 -47.24 -18.4 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.622 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.493 ' N ' ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -94.73 25.12 4.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.743 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -46.03 -95.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.687 ' H ' HD13 ' A' ' 125' ' ' LEU . 28.1 m-80 -96.46 -24.93 15.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.638 ' CD2' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -91.84 137.32 32.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 108.027 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 6.5 m -92.93 116.96 67.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.209 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.598 ' HB3' ' CE1' ' A' ' 123' ' ' HIS . 18.4 Cg_endo -75.03 50.3 2.5 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.427 1.751 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -40.18 -31.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.433 ' N ' ' C ' ' A' ' 129' ' ' PRO . 2.1 ttt -96.53 109.61 22.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.537 ' CG ' ' HB1' ' A' ' 140' ' ' ALA . 1.5 t0 -124.34 125.57 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.9 86.95 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.383 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.076 HG13 HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -118.41 -45.55 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 1.076 HD13 HG13 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -106.33 -20.63 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.231 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 70.11 23.38 77.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.66 1.225 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.2 173.48 10.08 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.443 0.731 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 138' ' ' VAL . 18.6 m -65.03 100.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER 177.12 -39.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.537 ' HB1' ' CG ' ' A' ' 132' ' ' ASP . . . -93.24 165.45 12.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.476 ' N ' ' CB ' ' A' ' 132' ' ' ASP . 0.0 OUTLIER -70.07 85.74 0.54 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.335 179.977 . . . . . . . . 0 0 . 1 stop_ save_